bacillibactin biosynthesis

MetaCyc:PWY-5903

Complete twelve-transformation chorismate-to-bacillibactin pathway in Parageobacillus sp. KH3-4: three upstream 2,3-dihydroxybenzoate reactions and nine carrier-dependent NRPS transformations. The upstream DhbA/C/B activities are genome and cluster annotations; the 2025 purified reconstitution starts with supplied 2,3-DHB, glycine and L-threonine. The native DhbF model retains both CP sites, condensations and TE-mediated trimeric cyclorelease. The old MetaCyc terminal arginyl carrier is chemically inconsistent with its threonyl precursor and primary structure. The independently issued MetaNetX threonyl reactive-state class is selected explicitly under the same native transformation identities; no exact equivalence to the old arginyl frame or imported ModelSEED alias is asserted. Carrier classes represent covalent reactive states with unspecified protein continuations, not exact KH3-4 sequences or whole-polypeptide stoichiometry. Three ATP adenylations per repeat imply nine ATP per trimer as mechanistic bookkeeping, not a measured ATP/product ratio; the conflicting native six-ATP composite is excluded rather than added to these twelve steps. The primary accession bridge identifies native gene sources, while tags, domain truncations and a contradictory printed DhbB coexpression primer limit exact engineered construct identity. DhbB phosphopantetheinylation was measured; DhbF maturation is supported by coexpression and function without direct occupancy measurement. MbtH was included in reconstitution, but its isolated requirement and stable complex stoichiometry were not established. Mg2+ was an assay condition, not an independently demonstrated free cofactor dependency. No native assembly stoichiometry, cellular location, transporter or regulation is transferred from B. subtilis. The strain-168 sfp0 defect and engineered E. coli expression host do not define KH3-4 biology. Ferric loading, uptake, mutasynthetic analogues and downstream utilization are outside this complete biosynthetic boundary.

Pathway type
bacillibactin biosynthesis
Organism scope

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Pathway network

44 nodes · 89 asserted directed edges

Arrows show recorded subject → object relationships, not necessarily metabolic flow. Select a node for details or an arrow for evidence. Scroll, zoom or find a node to explore.

Pathway network: bacillibactin biosynthesis 44 nodes · 89 asserted directed edges. Every arrow links to its evidence table row; nodes link to their component details. Isolated declared components are retained. MetaCyc:ISOCHORSYN-RXN — has_input → MetaCyc:CHORISMATE; Coefficient 1.; Evidence: MetaCyc:ISOCHORSYN-RXN, MetaCyc:CHORISMATEhas input MetaCyc:ISOCHORSYN-RXN — has_output → MetaCyc:ISOCHORISMATE; Coefficient 1.; Evidence: MetaCyc:ISOCHORSYN-RXN, MetaCyc:ISOCHORISMATEhas output MetaCyc:ISOCHORMAT-RXN — has_input → MetaCyc:WATER; Coefficient 1.; Evidence: MetaCyc:ISOCHORMAT-RXN, MetaCyc:WATERhas input MetaCyc:ISOCHORMAT-RXN — has_input → MetaCyc:ISOCHORISMATE; Coefficient 1.; Evidence: MetaCyc:ISOCHORMAT-RXN, MetaCyc:ISOCHORISMATEhas input MetaCyc:ISOCHORMAT-RXN — has_output → MetaCyc:PYRUVATE; Coefficient 1.; Evidence: MetaCyc:ISOCHORMAT-RXN, MetaCyc:PYRUVATEhas output MetaCyc:ISOCHORMAT-RXN — has_output → MetaCyc:DIHYDRO-DIOH-BENZOATE; Coefficient 1.; Evidence: MetaCyc:ISOCHORMAT-RXN, MetaCyc:DIHYDRO-DIOH-BENZOATEhas output MetaCyc:DHBDEHYD-RXN — has_input → MetaCyc:DIHYDRO-DIOH-BENZOATE; Coefficient 1.; Evidence: MetaCyc:DHBDEHYD-RXN, MetaCyc:DIHYDRO-DIOH-BENZOATEhas input MetaCyc:DHBDEHYD-RXN — has_input → MetaCyc:NAD; Coefficient 1.; Evidence: MetaCyc:DHBDEHYD-RXN, MetaCyc:NADhas input MetaCyc:DHBDEHYD-RXN — has_output → MetaCyc:2-3-DIHYDROXYBENZOATE; Coefficient 1.; Evidence: MetaCyc:DHBDEHYD-RXN, MetaCyc:2-3-DIHYDROXYBENZOATEhas output MetaCyc:DHBDEHYD-RXN — has_output → CHEBI:57945; Coefficient 1.; Evidence: MetaCyc:DHBDEHYD-RXN, MetaCyc:NADH, CHEBI:30616has output MetaCyc:DHBDEHYD-RXN — has_output → MetaCyc:PROTON; Coefficient 1.; Evidence: MetaCyc:DHBDEHYD-RXN, MetaCyc:PROTONhas output MetaCyc:DHBAMPLIG-RXN — has_input → MetaCyc:PROTON; Coefficient 1.; Evidence: MetaCyc:DHBAMPLIG-RXN, MetaCyc:PROTONhas input MetaCyc:DHBAMPLIG-RXN — has_input → MetaCyc:2-3-DIHYDROXYBENZOATE; Coefficient 1.; Evidence: MetaCyc:DHBAMPLIG-RXN, MetaCyc:2-3-DIHYDROXYBENZOATEhas input MetaCyc:DHBAMPLIG-RXN — has_input → CHEBI:30616; Coefficient 1.; Evidence: MetaCyc:DHBAMPLIG-RXN, MetaCyc:ATP, CHEBI:30616has input MetaCyc:DHBAMPLIG-RXN — has_output → MetaCyc:CPD-62; Coefficient 1.; Evidence: MetaCyc:DHBAMPLIG-RXN, MetaCyc:CPD-62has output MetaCyc:DHBAMPLIG-RXN — has_output → MetaCyc:PPI; Coefficient 1.; Evidence: MetaCyc:DHBAMPLIG-RXN, MetaCyc:PPIhas output MetaCyc:RXN-19449 — has_input → MetaCyc:CPD-62; Coefficient 1.; Evidence: MetaCyc:RXN-19449, MetaCyc:CPD-62has input MetaCyc:RXN-19449 — has_input → MetaCyc:Holo-DhbB; Coefficient 1. Native carrier-state class, not an exact full polypeptide. DhbF contains two CP sites; state coefficients do not count whole NRPS molecules.; Evidence: MetaCyc:RXN-19449, MetaCyc:Holo-DhbBhas input MetaCyc:RXN-19449 — has_output → MetaCyc:23-dihydroxybenzoyl-DhbB; Coefficient 1. Native carrier-state class, not an exact full polypeptide. DhbF contains two CP sites; state coefficients do not count whole NRPS molecules.; Evidence: MetaCyc:RXN-19449, MetaCyc:23-dihydroxybenzoyl-DhbBhas output MetaCyc:RXN-19449 — has_output → CHEBI:456215; Coefficient 1.; Evidence: MetaCyc:RXN-19449, MetaCyc:AMP, CHEBI:30616has output MetaCyc:RXN-19449 — has_output → MetaCyc:PROTON; Coefficient 1.; Evidence: MetaCyc:RXN-19449, MetaCyc:PROTONhas output MetaCyc:RXN-9376 — has_input → MetaCyc:GLY; Coefficient 1.; Evidence: MetaCyc:RXN-9376, MetaCyc:GLYhas input MetaCyc:RXN-9376 — has_input → CHEBI:30616; Coefficient 1.; Evidence: MetaCyc:RXN-9376, MetaCyc:ATP, CHEBI:30616has input MetaCyc:RXN-9376 — has_output → MetaCyc:CPD-9993; Coefficient 1.; Evidence: MetaCyc:RXN-9376, MetaCyc:CPD-9993has output MetaCyc:RXN-9376 — has_output → MetaCyc:PPI; Coefficient 1.; Evidence: MetaCyc:RXN-9376, MetaCyc:PPIhas output MetaCyc:RXN-19458 — has_input → MetaCyc:CPD-9993; Coefficient 1.; Evidence: MetaCyc:RXN-19458, MetaCyc:CPD-9993has input MetaCyc:RXN-19458 — has_input → MetaCyc:DhbF; Coefficient 1. Native carrier-state class, not an exact full polypeptide. DhbF contains two CP sites; state coefficients do not count whole NRPS molecules.; Evidence: MetaCyc:RXN-19458, MetaCyc:DhbFhas input MetaCyc:RXN-19458 — has_output → MetaCyc:Glycyl-DhbF; Coefficient 1. Native carrier-state class, not an exact full polypeptide. DhbF contains two CP sites; state coefficients do not count whole NRPS molecules.; Evidence: MetaCyc:RXN-19458, MetaCyc:Glycyl-DhbFhas output MetaCyc:RXN-19458 — has_output → CHEBI:456215; Coefficient 1.; Evidence: MetaCyc:RXN-19458, MetaCyc:AMP, CHEBI:30616has output MetaCyc:RXN-19460 — has_input → MetaCyc:23-dihydroxybenzoyl-DhbB; Coefficient 1. Native carrier-state class, not an exact full polypeptide. DhbF contains two CP sites; state coefficients do not count whole NRPS molecules.; Evidence: MetaCyc:RXN-19460, MetaCyc:23-dihydroxybenzoyl-DhbBhas input MetaCyc:RXN-19460 — has_input → MetaCyc:Glycyl-DhbF; Coefficient 1. Native carrier-state class, not an exact full polypeptide. DhbF contains two CP sites; state coefficients do not count whole NRPS molecules.; Evidence: MetaCyc:RXN-19460, MetaCyc:Glycyl-DhbFhas input MetaCyc:RXN-19460 — has_output → MetaCyc:DHB-glycyl-DhbF; Coefficient 1. Native carrier-state class, not an exact full polypeptide. DhbF contains two CP sites; state coefficients do not count whole NRPS molecules.; Evidence: MetaCyc:RXN-19460, MetaCyc:DHB-glycyl-DhbFhas output MetaCyc:RXN-19460 — has_output → MetaCyc:Holo-DhbB; Coefficient 1. Native carrier-state class, not an exact full polypeptide. DhbF contains two CP sites; state coefficients do not count whole NRPS molecules.; Evidence: MetaCyc:RXN-19460, MetaCyc:Holo-DhbBhas output MetaCyc:RXN-19460 — has_output → MetaCyc:PROTON; Coefficient 1.; Evidence: MetaCyc:RXN-19460, MetaCyc:PROTONhas output MetaCyc:RXN-9377 — has_input → MetaCyc:THR; Coefficient 1.; Evidence: MetaCyc:RXN-9377, MetaCyc:THRhas input MetaCyc:RXN-9377 — has_input → CHEBI:30616; Coefficient 1.; Evidence: MetaCyc:RXN-9377, MetaCyc:ATP, CHEBI:30616has input MetaCyc:RXN-9377 — has_input → MetaCyc:PROTON; Coefficient 1.; Evidence: MetaCyc:RXN-9377, MetaCyc:PROTONhas input MetaCyc:RXN-9377 — has_output → MetaCyc:CPD-9994; Coefficient 1.; Evidence: MetaCyc:RXN-9377, MetaCyc:CPD-9994has output MetaCyc:RXN-9377 — has_output → MetaCyc:PPI; Coefficient 1.; Evidence: MetaCyc:RXN-9377, MetaCyc:PPIhas output MetaCyc:RXN-19452 — has_input → MetaCyc:CPD-9994; Coefficient 1.; Evidence: MetaCyc:RXN-19452, MetaCyc:CPD-9994has input MetaCyc:RXN-19452 — has_input → MetaCyc:DhbF; Coefficient 1. Native carrier-state class, not an exact full polypeptide. DhbF contains two CP sites; state coefficients do not count whole NRPS molecules.; Evidence: MetaCyc:RXN-19452, MetaCyc:DhbFhas input MetaCyc:RXN-19452 — has_output → MetaCyc:Threonyl-DhbF; Coefficient 1. Native carrier-state class, not an exact full polypeptide. DhbF contains two CP sites; state coefficients do not count whole NRPS molecules.; Evidence: MetaCyc:RXN-19452, MetaCyc:Threonyl-DhbFhas output MetaCyc:RXN-19452 — has_output → CHEBI:456215; Coefficient 1.; Evidence: MetaCyc:RXN-19452, MetaCyc:AMP, CHEBI:30616has output MetaCyc:RXN-19452 — has_output → MetaCyc:PROTON; Coefficient 1.; Evidence: MetaCyc:RXN-19452, MetaCyc:PROTONhas output MetaCyc:RXN-19461 — has_input → MetaCyc:DHB-glycyl-DhbF; Coefficient 1. Native carrier-state class, not an exact full polypeptide. DhbF contains two CP sites; state coefficients do not count whole NRPS molecules.; Evidence: MetaCyc:RXN-19461, MetaCyc:DHB-glycyl-DhbFhas input MetaCyc:RXN-19461 — has_input → MetaCyc:Threonyl-DhbF; Coefficient 1. Native carrier-state class, not an exact full polypeptide. DhbF contains two CP sites; state coefficients do not count whole NRPS molecules.; Evidence: MetaCyc:RXN-19461, MetaCyc:Threonyl-DhbFhas input MetaCyc:RXN-19461 — has_output → metanetx.chemical:MNXM743865; Coefficient 1. Primary-supported threonyl reactive-state correction under the native transformation identity. The native arginyl frame and imported MNX sameAs are not accepted as exact equivalents. Coefficients count formal carrier states, not whole DhbF polypeptides.; Evidence: MetaCyc:RXN-19461, metanetx.chemical:MNXM743865, PMID:39870587has output MetaCyc:RXN-19461 — has_output → MetaCyc:DhbF; Coefficient 1. Native carrier-state class, not an exact full polypeptide. DhbF contains two CP sites; state coefficients do not count whole NRPS molecules.; Evidence: MetaCyc:RXN-19461, MetaCyc:DhbFhas output MetaCyc:RXN-19461 — has_output → MetaCyc:PROTON; Coefficient 1.; Evidence: MetaCyc:RXN-19461, MetaCyc:PROTONhas output MetaCyc:RXN-19462 — has_input → metanetx.chemical:MNXM743865; Coefficient 3. Primary-supported threonyl reactive-state correction under the native transformation identity. The native arginyl frame and imported MNX sameAs are not accepted as exact equivalents. Coefficients count formal carrier states, not whole DhbF polypeptides.; Evidence: MetaCyc:RXN-19462, metanetx.chemical:MNXM743865, PMID:39870587has input MetaCyc:RXN-19462 — has_output → MetaCyc:CPD-9984; Coefficient 1.; Evidence: MetaCyc:RXN-19462, MetaCyc:CPD-9984has output MetaCyc:RXN-19462 — has_output → MetaCyc:DhbF; Coefficient 3. Native carrier-state class, not an exact full polypeptide. DhbF contains two CP sites; state coefficients do not count whole NRPS molecules.; Evidence: MetaCyc:RXN-19462, MetaCyc:DhbFhas output NCBIProtein:BDG45612.1 — enables → MetaCyc:ISOCHORSYN-RXN; Annotation-supported KH3-4 gene-product assignment for the complete upstream DHB module. No purified activity or active oligomer is established for this selected protein by the 2025 study.; Evidence: NCBIProtein:BDG45612.1, PMID:39870587, NCBIProtein:BDG45612.1enables NCBIProtein:BDG45614.1 — enables → MetaCyc:ISOCHORMAT-RXN; Annotation-supported KH3-4 gene-product assignment for the complete upstream DHB module. No purified activity or active oligomer is established for this selected protein by the 2025 study.; Evidence: NCBIProtein:BDG45614.1, PMID:39870587, NCBIProtein:BDG45614.1enables NCBIProtein:BDG45611.1 — enables → MetaCyc:DHBDEHYD-RXN; Annotation-supported KH3-4 gene-product assignment for the complete upstream DHB module. No purified activity or active oligomer is established for this selected protein by the 2025 study.; Evidence: NCBIProtein:BDG45611.1, PMID:39870587, NCBIProtein:BDG45611.1enables NCBIProtein:BDG45613.1 — enables → MetaCyc:DHBAMPLIG-RXN; Functional gene-product role supported by the primary mechanistic model and KH3-4-derived recombinant preparations. This does not establish monomer sufficiency, fixed assembly stoichiometry or separately measured flux for every carrier-bound step.; Evidence: NCBIProtein:BDG45613.1, PMID:39870587, PMID:39870587enables NCBIProtein:BDG45613.1 — enables → MetaCyc:RXN-19449; Functional gene-product role supported by the primary mechanistic model and KH3-4-derived recombinant preparations. This does not establish monomer sufficiency, fixed assembly stoichiometry or separately measured flux for every carrier-bound step.; Evidence: NCBIProtein:BDG45613.1, PMID:39870587, PMID:39870587enables NCBIProtein:BDG45615.1 — enables → MetaCyc:RXN-9376; Functional gene-product role supported by the primary mechanistic model and KH3-4-derived recombinant preparations. This does not establish monomer sufficiency, fixed assembly stoichiometry or separately measured flux for every carrier-bound step.; Evidence: NCBIProtein:BDG45615.1, PMID:39870587, PMID:39870587enables NCBIProtein:BDG45615.1 — enables → MetaCyc:RXN-19458; Functional gene-product role supported by the primary mechanistic model and KH3-4-derived recombinant preparations. This does not establish monomer sufficiency, fixed assembly stoichiometry or separately measured flux for every carrier-bound step.; Evidence: NCBIProtein:BDG45615.1, PMID:39870587, PMID:39870587enables NCBIProtein:BDG45615.1 — enables → MetaCyc:RXN-19460; Functional gene-product role supported by the primary mechanistic model and KH3-4-derived recombinant preparations. This does not establish monomer sufficiency, fixed assembly stoichiometry or separately measured flux for every carrier-bound step.; Evidence: NCBIProtein:BDG45615.1, PMID:39870587, PMID:39870587enables NCBIProtein:BDG45615.1 — enables → MetaCyc:RXN-9377; Functional gene-product role supported by the primary mechanistic model and KH3-4-derived recombinant preparations. This does not establish monomer sufficiency, fixed assembly stoichiometry or separately measured flux for every carrier-bound step.; Evidence: NCBIProtein:BDG45615.1, PMID:39870587, PMID:39870587enables NCBIProtein:BDG45615.1 — enables → MetaCyc:RXN-19452; Functional gene-product role supported by the primary mechanistic model and KH3-4-derived recombinant preparations. This does not establish monomer sufficiency, fixed assembly stoichiometry or separately measured flux for every carrier-bound step.; Evidence: NCBIProtein:BDG45615.1, PMID:39870587, PMID:39870587enables NCBIProtein:BDG45615.1 — enables → MetaCyc:RXN-19461; Functional gene-product role supported by the primary mechanistic model and KH3-4-derived recombinant preparations. This does not establish monomer sufficiency, fixed assembly stoichiometry or separately measured flux for every carrier-bound step.; Evidence: NCBIProtein:BDG45615.1, PMID:39870587, PMID:39870587enables NCBIProtein:BDG45615.1 — enables → MetaCyc:RXN-19462; Functional gene-product role supported by the primary mechanistic model and KH3-4-derived recombinant preparations. This does not establish monomer sufficiency, fixed assembly stoichiometry or separately measured flux for every carrier-bound step.; Evidence: NCBIProtein:BDG45615.1, PMID:39870587, PMID:39870587enables MetaCyc:ISOCHORSYN-RXN — part_of → MetaCyc:PWY-5903; Evidence: MetaCyc:PWY-5901, MetaCyc:PWY-5903part of MetaCyc:ISOCHORMAT-RXN — part_of → MetaCyc:PWY-5903; Evidence: MetaCyc:PWY-5901, MetaCyc:PWY-5903part of MetaCyc:DHBDEHYD-RXN — part_of → MetaCyc:PWY-5903; Evidence: MetaCyc:PWY-5901, MetaCyc:PWY-5903part of MetaCyc:DHBAMPLIG-RXN — part_of → MetaCyc:PWY-5903; Evidence: MetaCyc:PWY-5903part of MetaCyc:RXN-19449 — part_of → MetaCyc:PWY-5903; Evidence: MetaCyc:PWY-5903part of MetaCyc:RXN-9376 — part_of → MetaCyc:PWY-5903; Evidence: MetaCyc:PWY-5903part of MetaCyc:RXN-19458 — part_of → MetaCyc:PWY-5903; Evidence: MetaCyc:PWY-5903part of MetaCyc:RXN-19460 — part_of → MetaCyc:PWY-5903; Evidence: MetaCyc:PWY-5903part of MetaCyc:RXN-9377 — part_of → MetaCyc:PWY-5903; Evidence: MetaCyc:PWY-5903part of MetaCyc:RXN-19452 — part_of → MetaCyc:PWY-5903; Evidence: MetaCyc:PWY-5903part of MetaCyc:RXN-19461 — part_of → MetaCyc:PWY-5903; Evidence: MetaCyc:PWY-5903part of MetaCyc:RXN-19462 — part_of → MetaCyc:PWY-5903; Evidence: MetaCyc:PWY-5903part of MetaCyc:ISOCHORSYN-RXN — provides_input_for → MetaCyc:ISOCHORMAT-RXN; Shared intermediate: MetaCyc:ISOCHORISMATE. This is a chemical handoff, not an assertion of physical channeling or a single linear activation order.; Evidence: MetaCyc:ISOCHORSYN-RXN, MetaCyc:ISOCHORMAT-RXNprovides input for MetaCyc:ISOCHORMAT-RXN — provides_input_for → MetaCyc:DHBDEHYD-RXN; Shared intermediate: MetaCyc:DIHYDRO-DIOH-BENZOATE. This is a chemical handoff, not an assertion of physical channeling or a single linear activation order.; Evidence: MetaCyc:ISOCHORMAT-RXN, MetaCyc:DHBDEHYD-RXNprovides input for MetaCyc:DHBDEHYD-RXN — provides_input_for → MetaCyc:DHBAMPLIG-RXN; Shared intermediate: MetaCyc:2-3-DIHYDROXYBENZOATE. This is a chemical handoff, not an assertion of physical channeling or a single linear activation order.; Evidence: MetaCyc:DHBDEHYD-RXN, MetaCyc:DHBAMPLIG-RXNprovides input for MetaCyc:DHBAMPLIG-RXN — provides_input_for → MetaCyc:RXN-19449; Shared intermediate: MetaCyc:CPD-62. This is a chemical handoff, not an assertion of physical channeling or a single linear activation order.; Evidence: MetaCyc:DHBAMPLIG-RXN, MetaCyc:RXN-19449provides input for MetaCyc:RXN-19449 — provides_input_for → MetaCyc:RXN-19460; Shared intermediate: MetaCyc:23-dihydroxybenzoyl-DhbB. This is a chemical handoff, not an assertion of physical channeling or a single linear activation order.; Evidence: MetaCyc:RXN-19449, MetaCyc:RXN-19460provides input for MetaCyc:RXN-9376 — provides_input_for → MetaCyc:RXN-19458; Shared intermediate: MetaCyc:CPD-9993. This is a chemical handoff, not an assertion of physical channeling or a single linear activation order.; Evidence: MetaCyc:RXN-9376, MetaCyc:RXN-19458provides input for MetaCyc:RXN-19458 — provides_input_for → MetaCyc:RXN-19460; Shared intermediate: MetaCyc:Glycyl-DhbF. This is a chemical handoff, not an assertion of physical channeling or a single linear activation order.; Evidence: MetaCyc:RXN-19458, MetaCyc:RXN-19460provides input for MetaCyc:RXN-19460 — provides_input_for → MetaCyc:RXN-19461; Shared intermediate: MetaCyc:DHB-glycyl-DhbF. This is a chemical handoff, not an assertion of physical channeling or a single linear activation order.; Evidence: MetaCyc:RXN-19460, MetaCyc:RXN-19461provides input for MetaCyc:RXN-9377 — provides_input_for → MetaCyc:RXN-19452; Shared intermediate: MetaCyc:CPD-9994. This is a chemical handoff, not an assertion of physical channeling or a single linear activation order.; Evidence: MetaCyc:RXN-9377, MetaCyc:RXN-19452provides input for MetaCyc:RXN-19452 — provides_input_for → MetaCyc:RXN-19461; Shared intermediate: MetaCyc:Threonyl-DhbF. This is a chemical handoff, not an assertion of physical channeling or a single linear activation order.; Evidence: MetaCyc:RXN-19452, MetaCyc:RXN-19461provides input for MetaCyc:RXN-19461 — provides_input_for → MetaCyc:RXN-19462; Shared intermediate: metanetx.chemical:MNXM743865. This is a chemical handoff, not an assertion of physical channeling or a single linear activation order.; Evidence: PMID:39870587, metanetx.chemical:MNXM743865provides input for NCBIProtein:BDG45617.1 — activates → NCBIProtein:BDG45614.1; Activation by phosphopantetheinylation in the KH3-4-derived preparation; DhbB modification was measured directly. The printed coexpression primer mismatch does not prove that an incorrect plasmid was used.; Evidence: NCBIProtein:BDG45617.1, PMID:39870587, PMID:39870587activates NCBIProtein:BDG45617.1 — activates → NCBIProtein:BDG45615.1; PPTase-dependent activation model supported by coexpression and function. Both DhbF carrier-site occupancies were not directly measured; this is weaker evidence than the measured DhbB mass shift.; Evidence: NCBIProtein:BDG45617.1, PMID:39870587, PMID:39870587activates 2,3-dihydroxybenzoate; MetaCyc:2-3-DIHYDROXYBENZOATE; Declared type: small_molecule small molecule 2,3-dihydroxybenzoate a 2,3-dihydroxybenzoyl-[DhbB aryl-carrier protein]; MetaCyc:23-dihydroxybenzoyl-DhbB; Declared type: chemical_entity chemical entity a 2,3-dihydroxybenzoyl-[DhbB aryl-carrier protein] adenosine 5'-monophosphate(2-); CHEBI:456215; Declared type: small_molecule small molecule adenosine 5'-monophosphate(2-) ATP(4-); CHEBI:30616; Declared type: small_molecule small molecule ATP(4-) chorismate; MetaCyc:CHORISMATE; Declared type: small_molecule small molecule chorismate (2,3-dihydroxybenzoyl)adenylate; MetaCyc:CPD-62; Declared type: small_molecule small molecule (2,3- dihydroxybenzoyl)adenylate bacillibactin; MetaCyc:CPD-9984; Declared type: small_molecule small molecule bacillibactin (glycyl)adenylate; MetaCyc:CPD-9993; Declared type: small_molecule small molecule (glycyl)adenylate (L-threonyl)adenylate; MetaCyc:CPD-9994; Declared type: small_molecule small molecule (L-threonyl)adenylate a 2,3-dihydroxybenzoyl-glycyl-[DhbF non-ribosomal peptide synthase]; MetaCyc:DHB-glycyl-DhbF; Declared type: chemical_entity chemical entity a 2,3-dihydroxybenzoyl- glycyl-[DhbF non-ribosomal peptide synthase] a 2,3-dihydroxybenzoyl-glycyl-L-threonyl-[DhbF non-ribosomal peptide synthase]; metanetx.chemical:MNXM743865; Declared type: chemical_entity chemical entity a 2,3-dihydroxybenzoyl- glycyl-L-threonyl-[DhbF non- ribosomal peptide synthase] (2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate; MetaCyc:DIHYDRO-DIOH-BENZOATE; Declared type: small_molecule small molecule (2S,3S)-2,3-dihydroxy-2,3- dihydrobenzoate a [DhbF non-ribosomal peptide synthase]; MetaCyc:DhbF; Declared type: chemical_entity chemical entity a [DhbF non-ribosomal peptide synthase] glycine; MetaCyc:GLY; Declared type: small_molecule small molecule glycine a glycyl-[DhbF non-ribosomal peptide synthase]; MetaCyc:Glycyl-DhbF; Declared type: chemical_entity chemical entity a glycyl-[DhbF non-ribosomal peptide synthase] a holo-[DhbB aryl-carrier protein]; MetaCyc:Holo-DhbB; Declared type: chemical_entity chemical entity a holo-[DhbB aryl-carrier protein] isochorismate; MetaCyc:ISOCHORISMATE; Declared type: small_molecule small molecule isochorismate NAD+; MetaCyc:NAD; Declared type: small_molecule small molecule NAD+ NADH(2-); CHEBI:57945; Declared type: small_molecule small molecule NADH(2-) diphosphate; MetaCyc:PPI; Declared type: small_molecule small molecule diphosphate H+; MetaCyc:PROTON; Declared type: small_molecule small molecule H+ pyruvate; MetaCyc:PYRUVATE; Declared type: small_molecule small molecule pyruvate L-threonine; MetaCyc:THR; Declared type: small_molecule small molecule L-threonine an L-threonyl-[DhbF non-ribosomal peptide synthase]; MetaCyc:Threonyl-DhbF; Declared type: chemical_entity chemical entity an L-threonyl-[DhbF non- ribosomal peptide synthase] H2O; MetaCyc:WATER; Declared type: small_molecule small molecule H2O 2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase [Parageobacillus sp. KH3-4]; NCBIProtein:BDG45611.1; Declared type: protein protein 2,3-dihydro-2,3- dihydroxybenzoate dehydrogenase [Parageobacillus sp. KH3-4] isochorismate synthase DhbC [Parageobacillus sp. KH3-4]; NCBIProtein:BDG45612.1; Declared type: protein protein isochorismate synthase DhbC [Parageobacillus sp. KH3-4] 2,3-dihydroxybenzoate-AMP ligase [Parageobacillus sp. KH3-4]; NCBIProtein:BDG45613.1; Declared type: protein protein 2,3-dihydroxybenzoate-AMP ligase [Parageobacillus sp. KH3-4] isochorismatase [Parageobacillus sp. KH3-4]; NCBIProtein:BDG45614.1; Declared type: protein protein isochorismatase [Parageobacillus sp. KH3-4] dimodular nonribosomal peptide synthase [Parageobacillus sp. KH3-4]; NCBIProtein:BDG45615.1; Declared type: protein protein dimodular nonribosomal peptide synthase [Parageobacillus sp. KH3-4] 4'-phosphopantetheinyl transferase [Parageobacillus sp. KH3-4]; NCBIProtein:BDG45617.1; Declared type: protein protein 4'-phosphopantetheinyl transferase [Parageobacillus sp. KH3-4] Chorismate isomerization; MetaCyc:ISOCHORSYN-RXN; Declared type: molecular_activity; Source reaction direction: reversible molecular activity Chorismate isomerization Isochorismate hydrolysis; MetaCyc:ISOCHORMAT-RXN; Declared type: molecular_activity; Source reaction direction: left_to_right molecular activity Isochorismate hydrolysis Dihydrodihydroxybenzoate oxidation; MetaCyc:DHBDEHYD-RXN; Declared type: molecular_activity; Source reaction direction: left_to_right molecular activity Dihydrodihydroxybenzoate oxidation 2,3-Dihydroxybenzoate adenylation; MetaCyc:DHBAMPLIG-RXN; Declared type: molecular_activity; Source reaction direction: left_to_right molecular activity 2,3-Dihydroxybenzoate adenylation 2,3-Dihydroxybenzoyl loading of DhbB; MetaCyc:RXN-19449; Declared type: molecular_activity; Source reaction direction: left_to_right molecular activity 2,3-Dihydroxybenzoyl loading of DhbB Glycine adenylation; MetaCyc:RXN-9376; Declared type: molecular_activity; Source reaction direction: left_to_right molecular activity Glycine adenylation Glycyl loading of DhbF; MetaCyc:RXN-19458; Declared type: molecular_activity; Source reaction direction: left_to_right molecular activity Glycyl loading of DhbF Dihydroxybenzoyl-glycyl condensation; MetaCyc:RXN-19460; Declared type: molecular_activity; Source reaction direction: left_to_right molecular activity Dihydroxybenzoyl-glycyl condensation L-Threonine adenylation; MetaCyc:RXN-9377; Declared type: molecular_activity; Source reaction direction: left_to_right molecular activity L-Threonine adenylation L-Threonyl loading of DhbF; MetaCyc:RXN-19452; Declared type: molecular_activity; Source reaction direction: left_to_right molecular activity L-Threonyl loading of DhbF Dihydroxybenzoyl-glycyl-L-threonyl condensation; MetaCyc:RXN-19461; Declared type: molecular_activity; Source reaction direction: left_to_right molecular activity Dihydroxybenzoyl-glycyl-L- threonyl condensation Bacillibactin trimerization and cyclorelease; MetaCyc:RXN-19462; Declared type: molecular_activity; Source reaction direction: left_to_right molecular activity Bacillibactin trimerization and cyclorelease bacillibactin biosynthesis; MetaCyc:PWY-5903; Declared type: pathway pathway bacillibactin biosynthesis

Components and activities

Declared biological components and source reaction directions
NodeKind or roleSource direction
Parageobacillus sp. KH3-4
NCBITaxon:2916802
taxon
2,3-dihydroxybenzoate
MetaCyc:2-3-DIHYDROXYBENZOATE
small molecule
a 2,3-dihydroxybenzoyl-[DhbB aryl-carrier protein]
MetaCyc:23-dihydroxybenzoyl-DhbB
chemical entity
adenosine 5'-monophosphate(2-)
CHEBI:456215
small molecule
ATP(4-)
CHEBI:30616
small molecule
chorismate
MetaCyc:CHORISMATE
small molecule
(2,3-dihydroxybenzoyl)adenylate
MetaCyc:CPD-62
small molecule
bacillibactin
MetaCyc:CPD-9984
small molecule
(glycyl)adenylate
MetaCyc:CPD-9993
small molecule
(L-threonyl)adenylate
MetaCyc:CPD-9994
small molecule
a 2,3-dihydroxybenzoyl-glycyl-[DhbF non-ribosomal peptide synthase]
MetaCyc:DHB-glycyl-DhbF
chemical entity
a 2,3-dihydroxybenzoyl-glycyl-L-threonyl-[DhbF non-ribosomal peptide synthase]
metanetx.chemical:MNXM743865
chemical entity
(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate
MetaCyc:DIHYDRO-DIOH-BENZOATE
small molecule
a [DhbF non-ribosomal peptide synthase]
MetaCyc:DhbF
chemical entity
glycine
MetaCyc:GLY
small molecule
a glycyl-[DhbF non-ribosomal peptide synthase]
MetaCyc:Glycyl-DhbF
chemical entity
a holo-[DhbB aryl-carrier protein]
MetaCyc:Holo-DhbB
chemical entity
isochorismate
MetaCyc:ISOCHORISMATE
small molecule
NAD+
MetaCyc:NAD
small molecule
NADH(2-)
CHEBI:57945
small molecule
diphosphate
MetaCyc:PPI
small molecule
H+
MetaCyc:PROTON
small molecule
pyruvate
MetaCyc:PYRUVATE
small molecule
L-threonine
MetaCyc:THR
small molecule
an L-threonyl-[DhbF non-ribosomal peptide synthase]
MetaCyc:Threonyl-DhbF
chemical entity
H2O
MetaCyc:WATER
small molecule
2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase [Parageobacillus sp. KH3-4]
NCBIProtein:BDG45611.1
protein
isochorismate synthase DhbC [Parageobacillus sp. KH3-4]
NCBIProtein:BDG45612.1
protein
2,3-dihydroxybenzoate-AMP ligase [Parageobacillus sp. KH3-4]
NCBIProtein:BDG45613.1
protein
isochorismatase [Parageobacillus sp. KH3-4]
NCBIProtein:BDG45614.1
protein
dimodular nonribosomal peptide synthase [Parageobacillus sp. KH3-4]
NCBIProtein:BDG45615.1
protein
4'-phosphopantetheinyl transferase [Parageobacillus sp. KH3-4]
NCBIProtein:BDG45617.1
protein
Chorismate isomerization
MetaCyc:ISOCHORSYN-RXN
molecular activityreversible
Isochorismate hydrolysis
MetaCyc:ISOCHORMAT-RXN
molecular activityleft to right
Dihydrodihydroxybenzoate oxidation
MetaCyc:DHBDEHYD-RXN
molecular activityleft to right
2,3-Dihydroxybenzoate adenylation
MetaCyc:DHBAMPLIG-RXN
molecular activityleft to right
2,3-Dihydroxybenzoyl loading of DhbB
MetaCyc:RXN-19449
molecular activityleft to right
Glycine adenylation
MetaCyc:RXN-9376
molecular activityleft to right
Glycyl loading of DhbF
MetaCyc:RXN-19458
molecular activityleft to right
Dihydroxybenzoyl-glycyl condensation
MetaCyc:RXN-19460
molecular activityleft to right
L-Threonine adenylation
MetaCyc:RXN-9377
molecular activityleft to right
L-Threonyl loading of DhbF
MetaCyc:RXN-19452
molecular activityleft to right
Dihydroxybenzoyl-glycyl-L-threonyl condensation
MetaCyc:RXN-19461
molecular activityleft to right
Bacillibactin trimerization and cyclorelease
MetaCyc:RXN-19462
molecular activityleft to right

Mechanistic edges

Mechanistic edges and their cited evidence
SubjectPredicate and descriptionObjectEvidence
Chorismate isomerization
MetaCyc:ISOCHORSYN-RXN
has_input

Coefficient 1.

chorismate
MetaCyc:CHORISMATE
  • MetaCyc:ISOCHORSYN-RXN

    Source assertion: The native left slot specifies CHORISMATE with coefficient 1. The source direction is REVERSIBLE; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="ISOCHORSYN-RXN"]/left/*[@frameid="CHORISMATE"]; left/coefficient; reaction-direction
  • MetaCyc:CHORISMATE

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="CHORISMATE"]/common-name; cml/molecule; inchi
Chorismate isomerization
MetaCyc:ISOCHORSYN-RXN
has_output

Coefficient 1.

isochorismate
MetaCyc:ISOCHORISMATE
  • MetaCyc:ISOCHORSYN-RXN

    Source assertion: The native right slot specifies ISOCHORISMATE with coefficient 1. The source direction is REVERSIBLE; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="ISOCHORSYN-RXN"]/right/*[@frameid="ISOCHORISMATE"]; right/coefficient; reaction-direction
  • MetaCyc:ISOCHORISMATE

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="ISOCHORISMATE"]/common-name; cml/molecule; inchi
Isochorismate hydrolysis
MetaCyc:ISOCHORMAT-RXN
has_input

Coefficient 1.

H2O
MetaCyc:WATER
  • MetaCyc:ISOCHORMAT-RXN

    Source assertion: The native left slot specifies WATER with coefficient 1. The source direction is LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="ISOCHORMAT-RXN"]/left/*[@frameid="WATER"]; left/coefficient; reaction-direction
  • MetaCyc:WATER

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="WATER"]/common-name; cml/molecule; inchi
Isochorismate hydrolysis
MetaCyc:ISOCHORMAT-RXN
has_input

Coefficient 1.

isochorismate
MetaCyc:ISOCHORISMATE
  • MetaCyc:ISOCHORMAT-RXN

    Source assertion: The native left slot specifies ISOCHORISMATE with coefficient 1. The source direction is LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="ISOCHORMAT-RXN"]/left/*[@frameid="ISOCHORISMATE"]; left/coefficient; reaction-direction
  • MetaCyc:ISOCHORISMATE

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="ISOCHORISMATE"]/common-name; cml/molecule; inchi
Isochorismate hydrolysis
MetaCyc:ISOCHORMAT-RXN
has_output

Coefficient 1.

pyruvate
MetaCyc:PYRUVATE
  • MetaCyc:ISOCHORMAT-RXN

    Source assertion: The native right slot specifies PYRUVATE with coefficient 1. The source direction is LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="ISOCHORMAT-RXN"]/right/*[@frameid="PYRUVATE"]; right/coefficient; reaction-direction
  • MetaCyc:PYRUVATE

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="PYRUVATE"]/common-name; cml/molecule; inchi
Isochorismate hydrolysis
MetaCyc:ISOCHORMAT-RXN
has_output

Coefficient 1.

(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate
MetaCyc:DIHYDRO-DIOH-BENZOATE
  • MetaCyc:ISOCHORMAT-RXN

    Source assertion: The native right slot specifies DIHYDRO-DIOH-BENZOATE with coefficient 1. The source direction is LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="ISOCHORMAT-RXN"]/right/*[@frameid="DIHYDRO-DIOH-BENZOATE"]; right/coefficient; reaction-direction
  • MetaCyc:DIHYDRO-DIOH-BENZOATE

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="DIHYDRO-DIOH-BENZOATE"]/common-name; cml/molecule; inchi
Dihydrodihydroxybenzoate oxidation
MetaCyc:DHBDEHYD-RXN
has_input

Coefficient 1.

(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate
MetaCyc:DIHYDRO-DIOH-BENZOATE
  • MetaCyc:DHBDEHYD-RXN

    Source assertion: The native left slot specifies DIHYDRO-DIOH-BENZOATE with coefficient 1. The source direction is LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="DHBDEHYD-RXN"]/left/*[@frameid="DIHYDRO-DIOH-BENZOATE"]; left/coefficient; reaction-direction
  • MetaCyc:DIHYDRO-DIOH-BENZOATE

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="DIHYDRO-DIOH-BENZOATE"]/common-name; cml/molecule; inchi
Dihydrodihydroxybenzoate oxidation
MetaCyc:DHBDEHYD-RXN
has_input

Coefficient 1.

NAD+
MetaCyc:NAD
  • MetaCyc:DHBDEHYD-RXN

    Source assertion: The native left slot specifies NAD with coefficient 1. The source direction is LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="DHBDEHYD-RXN"]/left/*[@frameid="NAD"]; left/coefficient; reaction-direction
  • MetaCyc:NAD

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="NAD"]/common-name; cml/molecule; inchi
Dihydrodihydroxybenzoate oxidation
MetaCyc:DHBDEHYD-RXN
has_output

Coefficient 1.

2,3-dihydroxybenzoate
MetaCyc:2-3-DIHYDROXYBENZOATE
  • MetaCyc:DHBDEHYD-RXN

    Source assertion: The native right slot specifies 2-3-DIHYDROXYBENZOATE with coefficient 1. The source direction is LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="DHBDEHYD-RXN"]/right/*[@frameid="2-3-DIHYDROXYBENZOATE"]; right/coefficient; reaction-direction
  • MetaCyc:2-3-DIHYDROXYBENZOATE

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="2-3-DIHYDROXYBENZOATE"]/common-name; cml/molecule; inchi
Dihydrodihydroxybenzoate oxidation
MetaCyc:DHBDEHYD-RXN
has_output

Coefficient 1.

NADH(2-)
CHEBI:57945
  • MetaCyc:DHBDEHYD-RXN

    Source assertion: The native right slot specifies NADH with coefficient 1. The source direction is LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="DHBDEHYD-RXN"]/right/*[@frameid="NADH"]; right/coefficient; reaction-direction
  • MetaCyc:NADH

    Source assertion: The native CML and InChI define the ionic structure selected as CHEBI:57945; identity is checked independently against the complete ChEBI term, not its display name.

    Source locationCompound[@frameid="NADH"]/cml/molecule; inchi
  • CHEBI:30616

    Source assertion: CHEBI:57945 has the same complete InChI, elemental formula and charge as this native compound; the selected label is its canonical ChEBI label.

    Source locationstatements WHERE subject="CHEBI:57945"; chemrof:inchi_string, chemrof:generalized_empirical_formula, chemrof:charge, rdfs:label
Dihydrodihydroxybenzoate oxidation
MetaCyc:DHBDEHYD-RXN
has_output

Coefficient 1.

H+
MetaCyc:PROTON
  • MetaCyc:DHBDEHYD-RXN

    Source assertion: The native right slot specifies PROTON with coefficient 1. The source direction is LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="DHBDEHYD-RXN"]/right/*[@frameid="PROTON"]; right/coefficient; reaction-direction
  • MetaCyc:PROTON

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="PROTON"]/common-name; cml/molecule; inchi
2,3-Dihydroxybenzoate adenylation
MetaCyc:DHBAMPLIG-RXN
has_input

Coefficient 1.

H+
MetaCyc:PROTON
  • MetaCyc:DHBAMPLIG-RXN

    Source assertion: The native left slot specifies PROTON with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="DHBAMPLIG-RXN"]/left/*[@frameid="PROTON"]; left/coefficient; reaction-direction
  • MetaCyc:PROTON

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="PROTON"]/common-name; cml/molecule; inchi
2,3-Dihydroxybenzoate adenylation
MetaCyc:DHBAMPLIG-RXN
has_input

Coefficient 1.

2,3-dihydroxybenzoate
MetaCyc:2-3-DIHYDROXYBENZOATE
  • MetaCyc:DHBAMPLIG-RXN

    Source assertion: The native left slot specifies 2-3-DIHYDROXYBENZOATE with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="DHBAMPLIG-RXN"]/left/*[@frameid="2-3-DIHYDROXYBENZOATE"]; left/coefficient; reaction-direction
  • MetaCyc:2-3-DIHYDROXYBENZOATE

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="2-3-DIHYDROXYBENZOATE"]/common-name; cml/molecule; inchi
2,3-Dihydroxybenzoate adenylation
MetaCyc:DHBAMPLIG-RXN
has_input

Coefficient 1.

ATP(4-)
CHEBI:30616
  • MetaCyc:DHBAMPLIG-RXN

    Source assertion: The native left slot specifies ATP with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="DHBAMPLIG-RXN"]/left/*[@frameid="ATP"]; left/coefficient; reaction-direction
  • MetaCyc:ATP

    Source assertion: The native CML and InChI define the ionic structure selected as CHEBI:30616; identity is checked independently against the complete ChEBI term, not its display name.

    Source locationCompound[@frameid="ATP"]/cml/molecule; inchi
  • CHEBI:30616

    Source assertion: CHEBI:30616 has the same complete InChI, elemental formula and charge as this native compound; the selected label is its canonical ChEBI label.

    Source locationstatements WHERE subject="CHEBI:30616"; chemrof:inchi_string, chemrof:generalized_empirical_formula, chemrof:charge, rdfs:label
2,3-Dihydroxybenzoate adenylation
MetaCyc:DHBAMPLIG-RXN
has_output

Coefficient 1.

(2,3-dihydroxybenzoyl)adenylate
MetaCyc:CPD-62
  • MetaCyc:DHBAMPLIG-RXN

    Source assertion: The native right slot specifies CPD-62 with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="DHBAMPLIG-RXN"]/right/*[@frameid="CPD-62"]; right/coefficient; reaction-direction
  • MetaCyc:CPD-62

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="CPD-62"]/common-name; cml/molecule; inchi
2,3-Dihydroxybenzoate adenylation
MetaCyc:DHBAMPLIG-RXN
has_output

Coefficient 1.

diphosphate
MetaCyc:PPI
  • MetaCyc:DHBAMPLIG-RXN

    Source assertion: The native right slot specifies PPI with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="DHBAMPLIG-RXN"]/right/*[@frameid="PPI"]; right/coefficient; reaction-direction
  • MetaCyc:PPI

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="PPI"]/common-name; cml/molecule; inchi
2,3-Dihydroxybenzoyl loading of DhbB
MetaCyc:RXN-19449
has_input

Coefficient 1.

(2,3-dihydroxybenzoyl)adenylate
MetaCyc:CPD-62
  • MetaCyc:RXN-19449

    Source assertion: The native left slot specifies CPD-62 with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-19449"]/left/*[@frameid="CPD-62"]; left/coefficient; reaction-direction
  • MetaCyc:CPD-62

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="CPD-62"]/common-name; cml/molecule; inchi
2,3-Dihydroxybenzoyl loading of DhbB
MetaCyc:RXN-19449
has_input

Coefficient 1. Native carrier-state class, not an exact full polypeptide. DhbF contains two CP sites; state coefficients do not count whole NRPS molecules.

a holo-[DhbB aryl-carrier protein]
MetaCyc:Holo-DhbB
  • MetaCyc:RXN-19449

    Source assertion: The native left slot specifies Holo-DhbB with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-19449"]/left/*[@frameid="Holo-DhbB"]; left/coefficient; reaction-direction
  • MetaCyc:Holo-DhbB

    Source assertion: This native protein class names the specified covalent carrier state. It does not identify a KH3-4 sequence or establish whole-enzyme stoichiometry.

    Source locationProtein[@frameid="Holo-DhbB"]/common-name; parent
2,3-Dihydroxybenzoyl loading of DhbB
MetaCyc:RXN-19449
has_output

Coefficient 1. Native carrier-state class, not an exact full polypeptide. DhbF contains two CP sites; state coefficients do not count whole NRPS molecules.

a 2,3-dihydroxybenzoyl-[DhbB aryl-carrier protein]
MetaCyc:23-dihydroxybenzoyl-DhbB
  • MetaCyc:RXN-19449

    Source assertion: The native right slot specifies 23-dihydroxybenzoyl-DhbB with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-19449"]/right/*[@frameid="23-dihydroxybenzoyl-DhbB"]; right/coefficient; reaction-direction
  • MetaCyc:23-dihydroxybenzoyl-DhbB

    Source assertion: This native protein class names the specified covalent carrier state. It does not identify a KH3-4 sequence or establish whole-enzyme stoichiometry.

    Source locationProtein[@frameid="23-dihydroxybenzoyl-DhbB"]/common-name; parent; unmodified-form
2,3-Dihydroxybenzoyl loading of DhbB
MetaCyc:RXN-19449
has_output

Coefficient 1.

adenosine 5'-monophosphate(2-)
CHEBI:456215
  • MetaCyc:RXN-19449

    Source assertion: The native right slot specifies AMP with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-19449"]/right/*[@frameid="AMP"]; right/coefficient; reaction-direction
  • MetaCyc:AMP

    Source assertion: The native CML and InChI define the ionic structure selected as CHEBI:456215; identity is checked independently against the complete ChEBI term, not its display name.

    Source locationCompound[@frameid="AMP"]/cml/molecule; inchi
  • CHEBI:30616

    Source assertion: CHEBI:456215 has the same complete InChI, elemental formula and charge as this native compound; the selected label is its canonical ChEBI label.

    Source locationstatements WHERE subject="CHEBI:456215"; chemrof:inchi_string, chemrof:generalized_empirical_formula, chemrof:charge, rdfs:label
2,3-Dihydroxybenzoyl loading of DhbB
MetaCyc:RXN-19449
has_output

Coefficient 1.

H+
MetaCyc:PROTON
  • MetaCyc:RXN-19449

    Source assertion: The native right slot specifies PROTON with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-19449"]/right/*[@frameid="PROTON"]; right/coefficient; reaction-direction
  • MetaCyc:PROTON

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="PROTON"]/common-name; cml/molecule; inchi
Glycine adenylation
MetaCyc:RXN-9376
has_input

Coefficient 1.

glycine
MetaCyc:GLY
  • MetaCyc:RXN-9376

    Source assertion: The native left slot specifies GLY with coefficient 1. The source direction is LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-9376"]/left/*[@frameid="GLY"]; left/coefficient; reaction-direction
  • MetaCyc:GLY

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="GLY"]/common-name; cml/molecule; inchi
Glycine adenylation
MetaCyc:RXN-9376
has_input

Coefficient 1.

ATP(4-)
CHEBI:30616
  • MetaCyc:RXN-9376

    Source assertion: The native left slot specifies ATP with coefficient 1. The source direction is LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-9376"]/left/*[@frameid="ATP"]; left/coefficient; reaction-direction
  • MetaCyc:ATP

    Source assertion: The native CML and InChI define the ionic structure selected as CHEBI:30616; identity is checked independently against the complete ChEBI term, not its display name.

    Source locationCompound[@frameid="ATP"]/cml/molecule; inchi
  • CHEBI:30616

    Source assertion: CHEBI:30616 has the same complete InChI, elemental formula and charge as this native compound; the selected label is its canonical ChEBI label.

    Source locationstatements WHERE subject="CHEBI:30616"; chemrof:inchi_string, chemrof:generalized_empirical_formula, chemrof:charge, rdfs:label
Glycine adenylation
MetaCyc:RXN-9376
has_output

Coefficient 1.

(glycyl)adenylate
MetaCyc:CPD-9993
  • MetaCyc:RXN-9376

    Source assertion: The native right slot specifies CPD-9993 with coefficient 1. The source direction is LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-9376"]/right/*[@frameid="CPD-9993"]; right/coefficient; reaction-direction
  • MetaCyc:CPD-9993

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="CPD-9993"]/common-name; cml/molecule; inchi
Glycine adenylation
MetaCyc:RXN-9376
has_output

Coefficient 1.

diphosphate
MetaCyc:PPI
  • MetaCyc:RXN-9376

    Source assertion: The native right slot specifies PPI with coefficient 1. The source direction is LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-9376"]/right/*[@frameid="PPI"]; right/coefficient; reaction-direction
  • MetaCyc:PPI

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="PPI"]/common-name; cml/molecule; inchi
Glycyl loading of DhbF
MetaCyc:RXN-19458
has_input

Coefficient 1.

(glycyl)adenylate
MetaCyc:CPD-9993
  • MetaCyc:RXN-19458

    Source assertion: The native left slot specifies CPD-9993 with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-19458"]/left/*[@frameid="CPD-9993"]; left/coefficient; reaction-direction
  • MetaCyc:CPD-9993

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="CPD-9993"]/common-name; cml/molecule; inchi
Glycyl loading of DhbF
MetaCyc:RXN-19458
has_input

Coefficient 1. Native carrier-state class, not an exact full polypeptide. DhbF contains two CP sites; state coefficients do not count whole NRPS molecules.

a [DhbF non-ribosomal peptide synthase]
MetaCyc:DhbF
  • MetaCyc:RXN-19458

    Source assertion: The native left slot specifies DhbF with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-19458"]/left/*[@frameid="DhbF"]; left/coefficient; reaction-direction
  • MetaCyc:DhbF

    Source assertion: This native protein class names the specified covalent carrier state. It does not identify a KH3-4 sequence or establish whole-enzyme stoichiometry.

    Source locationProtein[@frameid="DhbF"]/common-name; parent
Glycyl loading of DhbF
MetaCyc:RXN-19458
has_output

Coefficient 1. Native carrier-state class, not an exact full polypeptide. DhbF contains two CP sites; state coefficients do not count whole NRPS molecules.

a glycyl-[DhbF non-ribosomal peptide synthase]
MetaCyc:Glycyl-DhbF
  • MetaCyc:RXN-19458

    Source assertion: The native right slot specifies Glycyl-DhbF with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-19458"]/right/*[@frameid="Glycyl-DhbF"]; right/coefficient; reaction-direction
  • MetaCyc:Glycyl-DhbF

    Source assertion: This native protein class names the specified covalent carrier state. It does not identify a KH3-4 sequence or establish whole-enzyme stoichiometry.

    Source locationProtein[@frameid="Glycyl-DhbF"]/common-name; parent; unmodified-form
Glycyl loading of DhbF
MetaCyc:RXN-19458
has_output

Coefficient 1.

adenosine 5'-monophosphate(2-)
CHEBI:456215
  • MetaCyc:RXN-19458

    Source assertion: The native right slot specifies AMP with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-19458"]/right/*[@frameid="AMP"]; right/coefficient; reaction-direction
  • MetaCyc:AMP

    Source assertion: The native CML and InChI define the ionic structure selected as CHEBI:456215; identity is checked independently against the complete ChEBI term, not its display name.

    Source locationCompound[@frameid="AMP"]/cml/molecule; inchi
  • CHEBI:30616

    Source assertion: CHEBI:456215 has the same complete InChI, elemental formula and charge as this native compound; the selected label is its canonical ChEBI label.

    Source locationstatements WHERE subject="CHEBI:456215"; chemrof:inchi_string, chemrof:generalized_empirical_formula, chemrof:charge, rdfs:label
Dihydroxybenzoyl-glycyl condensation
MetaCyc:RXN-19460
has_input

Coefficient 1. Native carrier-state class, not an exact full polypeptide. DhbF contains two CP sites; state coefficients do not count whole NRPS molecules.

a 2,3-dihydroxybenzoyl-[DhbB aryl-carrier protein]
MetaCyc:23-dihydroxybenzoyl-DhbB
  • MetaCyc:RXN-19460

    Source assertion: The native left slot specifies 23-dihydroxybenzoyl-DhbB with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-19460"]/left/*[@frameid="23-dihydroxybenzoyl-DhbB"]; left/coefficient; reaction-direction
  • MetaCyc:23-dihydroxybenzoyl-DhbB

    Source assertion: This native protein class names the specified covalent carrier state. It does not identify a KH3-4 sequence or establish whole-enzyme stoichiometry.

    Source locationProtein[@frameid="23-dihydroxybenzoyl-DhbB"]/common-name; parent; unmodified-form
Dihydroxybenzoyl-glycyl condensation
MetaCyc:RXN-19460
has_input

Coefficient 1. Native carrier-state class, not an exact full polypeptide. DhbF contains two CP sites; state coefficients do not count whole NRPS molecules.

a glycyl-[DhbF non-ribosomal peptide synthase]
MetaCyc:Glycyl-DhbF
  • MetaCyc:RXN-19460

    Source assertion: The native left slot specifies Glycyl-DhbF with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-19460"]/left/*[@frameid="Glycyl-DhbF"]; left/coefficient; reaction-direction
  • MetaCyc:Glycyl-DhbF

    Source assertion: This native protein class names the specified covalent carrier state. It does not identify a KH3-4 sequence or establish whole-enzyme stoichiometry.

    Source locationProtein[@frameid="Glycyl-DhbF"]/common-name; parent; unmodified-form
Dihydroxybenzoyl-glycyl condensation
MetaCyc:RXN-19460
has_output

Coefficient 1. Native carrier-state class, not an exact full polypeptide. DhbF contains two CP sites; state coefficients do not count whole NRPS molecules.

a 2,3-dihydroxybenzoyl-glycyl-[DhbF non-ribosomal peptide synthase]
MetaCyc:DHB-glycyl-DhbF
  • MetaCyc:RXN-19460

    Source assertion: The native right slot specifies DHB-glycyl-DhbF with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-19460"]/right/*[@frameid="DHB-glycyl-DhbF"]; right/coefficient; reaction-direction
  • MetaCyc:DHB-glycyl-DhbF

    Source assertion: This native protein class names the specified covalent carrier state. It does not identify a KH3-4 sequence or establish whole-enzyme stoichiometry.

    Source locationProtein[@frameid="DHB-glycyl-DhbF"]/common-name; parent; unmodified-form
Dihydroxybenzoyl-glycyl condensation
MetaCyc:RXN-19460
has_output

Coefficient 1. Native carrier-state class, not an exact full polypeptide. DhbF contains two CP sites; state coefficients do not count whole NRPS molecules.

a holo-[DhbB aryl-carrier protein]
MetaCyc:Holo-DhbB
  • MetaCyc:RXN-19460

    Source assertion: The native right slot specifies Holo-DhbB with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-19460"]/right/*[@frameid="Holo-DhbB"]; right/coefficient; reaction-direction
  • MetaCyc:Holo-DhbB

    Source assertion: This native protein class names the specified covalent carrier state. It does not identify a KH3-4 sequence or establish whole-enzyme stoichiometry.

    Source locationProtein[@frameid="Holo-DhbB"]/common-name; parent
Dihydroxybenzoyl-glycyl condensation
MetaCyc:RXN-19460
has_output

Coefficient 1.

H+
MetaCyc:PROTON
  • MetaCyc:RXN-19460

    Source assertion: The native right slot specifies PROTON with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-19460"]/right/*[@frameid="PROTON"]; right/coefficient; reaction-direction
  • MetaCyc:PROTON

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="PROTON"]/common-name; cml/molecule; inchi
L-Threonine adenylation
MetaCyc:RXN-9377
has_input

Coefficient 1.

L-threonine
MetaCyc:THR
  • MetaCyc:RXN-9377

    Source assertion: The native left slot specifies THR with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-9377"]/left/*[@frameid="THR"]; left/coefficient; reaction-direction
  • MetaCyc:THR

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="THR"]/common-name; cml/molecule; inchi
L-Threonine adenylation
MetaCyc:RXN-9377
has_input

Coefficient 1.

ATP(4-)
CHEBI:30616
  • MetaCyc:RXN-9377

    Source assertion: The native left slot specifies ATP with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-9377"]/left/*[@frameid="ATP"]; left/coefficient; reaction-direction
  • MetaCyc:ATP

    Source assertion: The native CML and InChI define the ionic structure selected as CHEBI:30616; identity is checked independently against the complete ChEBI term, not its display name.

    Source locationCompound[@frameid="ATP"]/cml/molecule; inchi
  • CHEBI:30616

    Source assertion: CHEBI:30616 has the same complete InChI, elemental formula and charge as this native compound; the selected label is its canonical ChEBI label.

    Source locationstatements WHERE subject="CHEBI:30616"; chemrof:inchi_string, chemrof:generalized_empirical_formula, chemrof:charge, rdfs:label
L-Threonine adenylation
MetaCyc:RXN-9377
has_input

Coefficient 1.

H+
MetaCyc:PROTON
  • MetaCyc:RXN-9377

    Source assertion: The native left slot specifies PROTON with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-9377"]/left/*[@frameid="PROTON"]; left/coefficient; reaction-direction
  • MetaCyc:PROTON

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="PROTON"]/common-name; cml/molecule; inchi
L-Threonine adenylation
MetaCyc:RXN-9377
has_output

Coefficient 1.

(L-threonyl)adenylate
MetaCyc:CPD-9994
  • MetaCyc:RXN-9377

    Source assertion: The native right slot specifies CPD-9994 with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-9377"]/right/*[@frameid="CPD-9994"]; right/coefficient; reaction-direction
  • MetaCyc:CPD-9994

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="CPD-9994"]/common-name; cml/molecule; inchi
L-Threonine adenylation
MetaCyc:RXN-9377
has_output

Coefficient 1.

diphosphate
MetaCyc:PPI
  • MetaCyc:RXN-9377

    Source assertion: The native right slot specifies PPI with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-9377"]/right/*[@frameid="PPI"]; right/coefficient; reaction-direction
  • MetaCyc:PPI

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="PPI"]/common-name; cml/molecule; inchi
L-Threonyl loading of DhbF
MetaCyc:RXN-19452
has_input

Coefficient 1.

(L-threonyl)adenylate
MetaCyc:CPD-9994
  • MetaCyc:RXN-19452

    Source assertion: The native left slot specifies CPD-9994 with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-19452"]/left/*[@frameid="CPD-9994"]; left/coefficient; reaction-direction
  • MetaCyc:CPD-9994

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="CPD-9994"]/common-name; cml/molecule; inchi
L-Threonyl loading of DhbF
MetaCyc:RXN-19452
has_input

Coefficient 1. Native carrier-state class, not an exact full polypeptide. DhbF contains two CP sites; state coefficients do not count whole NRPS molecules.

a [DhbF non-ribosomal peptide synthase]
MetaCyc:DhbF
  • MetaCyc:RXN-19452

    Source assertion: The native left slot specifies DhbF with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-19452"]/left/*[@frameid="DhbF"]; left/coefficient; reaction-direction
  • MetaCyc:DhbF

    Source assertion: This native protein class names the specified covalent carrier state. It does not identify a KH3-4 sequence or establish whole-enzyme stoichiometry.

    Source locationProtein[@frameid="DhbF"]/common-name; parent
L-Threonyl loading of DhbF
MetaCyc:RXN-19452
has_output

Coefficient 1. Native carrier-state class, not an exact full polypeptide. DhbF contains two CP sites; state coefficients do not count whole NRPS molecules.

an L-threonyl-[DhbF non-ribosomal peptide synthase]
MetaCyc:Threonyl-DhbF
  • MetaCyc:RXN-19452

    Source assertion: The native right slot specifies Threonyl-DhbF with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-19452"]/right/*[@frameid="Threonyl-DhbF"]; right/coefficient; reaction-direction
  • MetaCyc:Threonyl-DhbF

    Source assertion: This native protein class names the specified covalent carrier state. It does not identify a KH3-4 sequence or establish whole-enzyme stoichiometry.

    Source locationProtein[@frameid="Threonyl-DhbF"]/common-name; parent; unmodified-form
L-Threonyl loading of DhbF
MetaCyc:RXN-19452
has_output

Coefficient 1.

adenosine 5'-monophosphate(2-)
CHEBI:456215
  • MetaCyc:RXN-19452

    Source assertion: The native right slot specifies AMP with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-19452"]/right/*[@frameid="AMP"]; right/coefficient; reaction-direction
  • MetaCyc:AMP

    Source assertion: The native CML and InChI define the ionic structure selected as CHEBI:456215; identity is checked independently against the complete ChEBI term, not its display name.

    Source locationCompound[@frameid="AMP"]/cml/molecule; inchi
  • CHEBI:30616

    Source assertion: CHEBI:456215 has the same complete InChI, elemental formula and charge as this native compound; the selected label is its canonical ChEBI label.

    Source locationstatements WHERE subject="CHEBI:456215"; chemrof:inchi_string, chemrof:generalized_empirical_formula, chemrof:charge, rdfs:label
L-Threonyl loading of DhbF
MetaCyc:RXN-19452
has_output

Coefficient 1.

H+
MetaCyc:PROTON
  • MetaCyc:RXN-19452

    Source assertion: The native right slot specifies PROTON with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-19452"]/right/*[@frameid="PROTON"]; right/coefficient; reaction-direction
  • MetaCyc:PROTON

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="PROTON"]/common-name; cml/molecule; inchi
Dihydroxybenzoyl-glycyl-L-threonyl condensation
MetaCyc:RXN-19461
has_input

Coefficient 1. Native carrier-state class, not an exact full polypeptide. DhbF contains two CP sites; state coefficients do not count whole NRPS molecules.

a 2,3-dihydroxybenzoyl-glycyl-[DhbF non-ribosomal peptide synthase]
MetaCyc:DHB-glycyl-DhbF
  • MetaCyc:RXN-19461

    Source assertion: The native left slot specifies DHB-glycyl-DhbF with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-19461"]/left/*[@frameid="DHB-glycyl-DhbF"]; left/coefficient; reaction-direction
  • MetaCyc:DHB-glycyl-DhbF

    Source assertion: This native protein class names the specified covalent carrier state. It does not identify a KH3-4 sequence or establish whole-enzyme stoichiometry.

    Source locationProtein[@frameid="DHB-glycyl-DhbF"]/common-name; parent; unmodified-form
Dihydroxybenzoyl-glycyl-L-threonyl condensation
MetaCyc:RXN-19461
has_input

Coefficient 1. Native carrier-state class, not an exact full polypeptide. DhbF contains two CP sites; state coefficients do not count whole NRPS molecules.

an L-threonyl-[DhbF non-ribosomal peptide synthase]
MetaCyc:Threonyl-DhbF
  • MetaCyc:RXN-19461

    Source assertion: The native left slot specifies Threonyl-DhbF with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-19461"]/left/*[@frameid="Threonyl-DhbF"]; left/coefficient; reaction-direction
  • MetaCyc:Threonyl-DhbF

    Source assertion: This native protein class names the specified covalent carrier state. It does not identify a KH3-4 sequence or establish whole-enzyme stoichiometry.

    Source locationProtein[@frameid="Threonyl-DhbF"]/common-name; parent; unmodified-form
Dihydroxybenzoyl-glycyl-L-threonyl condensation
MetaCyc:RXN-19461
has_output

Coefficient 1. Primary-supported threonyl reactive-state correction under the native transformation identity. The native arginyl frame and imported MNX sameAs are not accepted as exact equivalents. Coefficients count formal carrier states, not whole DhbF polypeptides.

a 2,3-dihydroxybenzoyl-glycyl-L-threonyl-[DhbF non-ribosomal peptide synthase]
metanetx.chemical:MNXM743865
  • MetaCyc:RXN-19461

    Source assertion: The original right slot has coefficient 1 for DHB-glycyl-arginyl-DhbF. That arginyl name conflicts with the threonyl precursor and primary structure; this edge is a curated threonyl correction, not native-equation equivalence.

    Source locationReaction[@frameid="RXN-19461"]/right/Protein; right/coefficient
  • metanetx.chemical:MNXM743865

    Source assertion: The independently issued canonical name is the DHB-glycyl-L-threonyl DhbF state; native SMILES encodes a 2S,3R threonyl thioester and protein-continuation wildcards. It is a reactive class, not an exact full protein or a sameAs claim to the old arginyl frame.

    Source locationUnique MolecularEntity JSON-LD: identifier, name, smiles; visible Properties: global charge -1
  • PMID:39870587

    Source assertion: Figure 1b depicts DHB-Gly-L-Thr bound to the second DhbF CP and its trimeric cyclorelease. Figure 5 supports L-Thr selection; Figure 6 detects reconstituted bacillibactin.

    Source locationPDF p.4 Figure 1b; p.8 Figure 5; pp.8-9 Figure 6
Dihydroxybenzoyl-glycyl-L-threonyl condensation
MetaCyc:RXN-19461
has_output

Coefficient 1. Native carrier-state class, not an exact full polypeptide. DhbF contains two CP sites; state coefficients do not count whole NRPS molecules.

a [DhbF non-ribosomal peptide synthase]
MetaCyc:DhbF
  • MetaCyc:RXN-19461

    Source assertion: The native right slot specifies DhbF with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-19461"]/right/*[@frameid="DhbF"]; right/coefficient; reaction-direction
  • MetaCyc:DhbF

    Source assertion: This native protein class names the specified covalent carrier state. It does not identify a KH3-4 sequence or establish whole-enzyme stoichiometry.

    Source locationProtein[@frameid="DhbF"]/common-name; parent
Dihydroxybenzoyl-glycyl-L-threonyl condensation
MetaCyc:RXN-19461
has_output

Coefficient 1.

H+
MetaCyc:PROTON
  • MetaCyc:RXN-19461

    Source assertion: The native right slot specifies PROTON with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-19461"]/right/*[@frameid="PROTON"]; right/coefficient; reaction-direction
  • MetaCyc:PROTON

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="PROTON"]/common-name; cml/molecule; inchi
Bacillibactin trimerization and cyclorelease
MetaCyc:RXN-19462
has_input

Coefficient 3. Primary-supported threonyl reactive-state correction under the native transformation identity. The native arginyl frame and imported MNX sameAs are not accepted as exact equivalents. Coefficients count formal carrier states, not whole DhbF polypeptides.

a 2,3-dihydroxybenzoyl-glycyl-L-threonyl-[DhbF non-ribosomal peptide synthase]
metanetx.chemical:MNXM743865
  • MetaCyc:RXN-19462

    Source assertion: The original left slot has coefficient 3 for DHB-glycyl-arginyl-DhbF. That arginyl name conflicts with the threonyl precursor and primary structure; this edge is a curated threonyl correction, not native-equation equivalence.

    Source locationReaction[@frameid="RXN-19462"]/left/Protein; left/coefficient
  • metanetx.chemical:MNXM743865

    Source assertion: The independently issued canonical name is the DHB-glycyl-L-threonyl DhbF state; native SMILES encodes a 2S,3R threonyl thioester and protein-continuation wildcards. It is a reactive class, not an exact full protein or a sameAs claim to the old arginyl frame.

    Source locationUnique MolecularEntity JSON-LD: identifier, name, smiles; visible Properties: global charge -1
  • PMID:39870587

    Source assertion: Figure 1b depicts DHB-Gly-L-Thr bound to the second DhbF CP and its trimeric cyclorelease. Figure 5 supports L-Thr selection; Figure 6 detects reconstituted bacillibactin.

    Source locationPDF p.4 Figure 1b; p.8 Figure 5; pp.8-9 Figure 6
Bacillibactin trimerization and cyclorelease
MetaCyc:RXN-19462
has_output

Coefficient 1.

bacillibactin
MetaCyc:CPD-9984
  • MetaCyc:RXN-19462

    Source assertion: The native right slot specifies CPD-9984 with coefficient 1. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-19462"]/right/*[@frameid="CPD-9984"]; right/coefficient; reaction-direction
  • MetaCyc:CPD-9984

    Source assertion: The native compound frame supplies its exact chemical structure, stereochemical InChI and charge; no neutral or unspecified-anomer cross-reference is substituted.

    Source locationCompound[@frameid="CPD-9984"]/common-name; cml/molecule; inchi
Bacillibactin trimerization and cyclorelease
MetaCyc:RXN-19462
has_output

Coefficient 3. Native carrier-state class, not an exact full polypeptide. DhbF contains two CP sites; state coefficients do not count whole NRPS molecules.

a [DhbF non-ribosomal peptide synthase]
MetaCyc:DhbF
  • MetaCyc:RXN-19462

    Source assertion: The native right slot specifies DhbF with coefficient 3. The source direction is PHYSIOL-LEFT-TO-RIGHT; the displayed side follows the biosynthetic transformation.

    Source locationReaction[@frameid="RXN-19462"]/right/*[@frameid="DhbF"]; right/coefficient; reaction-direction
  • MetaCyc:DhbF

    Source assertion: This native protein class names the specified covalent carrier state. It does not identify a KH3-4 sequence or establish whole-enzyme stoichiometry.

    Source locationProtein[@frameid="DhbF"]/common-name; parent
isochorismate synthase DhbC [Parageobacillus sp. KH3-4]
NCBIProtein:BDG45612.1
enables

Annotation-supported KH3-4 gene-product assignment for the complete upstream DHB module. No purified activity or active oligomer is established for this selected protein by the 2025 study.

Chorismate isomerization
MetaCyc:ISOCHORSYN-RXN
  • NCBIProtein:BDG45612.1

    Source assertion: The versioned GenPept entry BDG45612.1 identifies Parageobacillus sp. KH3-4, taxon 2916802, and its AP025627.1 coding region. The native gene product is distinguished from tagged experimental constructs and carrier classes.

    Source locationGBSeq[GBSeq_accession-version="BDG45612.1"]/GBSeq_definition; GBSeq_feature-table/GBFeature/GBFeature_quals (coded_by, db_xref, locus_tag)
  • PMID:39870587

    Source assertion: The KH3-4 cluster on AP025627 contains dhbACB assigned to 2,3-DHB production from chorismate. These upstream activities were not individually assayed in the NRPS reconstitution that begins with supplied 2,3-DHB.

    Source locationPDF p.4, Results and Discussion, KH3-4 gene cluster; Figure 1a
  • NCBIProtein:BDG45612.1

    Source assertion: The product annotation and similarity-based CDS inference support this proposed upstream activity. They are annotation evidence, not direct purified-enzyme evidence for the selected KH3-4 protein.

    Source locationGBSeq[GBSeq_accession-version="BDG45612.1"]/GBSeq_feature-table/GBFeature/GBFeature_quals (product, inference)
isochorismatase [Parageobacillus sp. KH3-4]
NCBIProtein:BDG45614.1
enables

Annotation-supported KH3-4 gene-product assignment for the complete upstream DHB module. No purified activity or active oligomer is established for this selected protein by the 2025 study.

Isochorismate hydrolysis
MetaCyc:ISOCHORMAT-RXN
  • NCBIProtein:BDG45614.1

    Source assertion: The versioned GenPept entry BDG45614.1 identifies Parageobacillus sp. KH3-4, taxon 2916802, and its AP025627.1 coding region. The native gene product is distinguished from tagged experimental constructs and carrier classes.

    Source locationGBSeq[GBSeq_accession-version="BDG45614.1"]/GBSeq_definition; GBSeq_feature-table/GBFeature/GBFeature_quals (coded_by, db_xref, locus_tag)
  • PMID:39870587

    Source assertion: The KH3-4 cluster on AP025627 contains dhbACB assigned to 2,3-DHB production from chorismate. These upstream activities were not individually assayed in the NRPS reconstitution that begins with supplied 2,3-DHB.

    Source locationPDF p.4, Results and Discussion, KH3-4 gene cluster; Figure 1a
  • NCBIProtein:BDG45614.1

    Source assertion: The product annotation and similarity-based CDS inference support this proposed upstream activity. They are annotation evidence, not direct purified-enzyme evidence for the selected KH3-4 protein.

    Source locationGBSeq[GBSeq_accession-version="BDG45614.1"]/GBSeq_feature-table/GBFeature/GBFeature_quals (product, inference)
2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase [Parageobacillus sp. KH3-4]
NCBIProtein:BDG45611.1
enables

Annotation-supported KH3-4 gene-product assignment for the complete upstream DHB module. No purified activity or active oligomer is established for this selected protein by the 2025 study.

Dihydrodihydroxybenzoate oxidation
MetaCyc:DHBDEHYD-RXN
  • NCBIProtein:BDG45611.1

    Source assertion: The versioned GenPept entry BDG45611.1 identifies Parageobacillus sp. KH3-4, taxon 2916802, and its AP025627.1 coding region. The native gene product is distinguished from tagged experimental constructs and carrier classes.

    Source locationGBSeq[GBSeq_accession-version="BDG45611.1"]/GBSeq_definition; GBSeq_feature-table/GBFeature/GBFeature_quals (coded_by, db_xref, locus_tag)
  • PMID:39870587

    Source assertion: The KH3-4 cluster on AP025627 contains dhbACB assigned to 2,3-DHB production from chorismate. These upstream activities were not individually assayed in the NRPS reconstitution that begins with supplied 2,3-DHB.

    Source locationPDF p.4, Results and Discussion, KH3-4 gene cluster; Figure 1a
  • NCBIProtein:BDG45611.1

    Source assertion: The product annotation and similarity-based CDS inference support this proposed upstream activity. They are annotation evidence, not direct purified-enzyme evidence for the selected KH3-4 protein.

    Source locationGBSeq[GBSeq_accession-version="BDG45611.1"]/GBSeq_feature-table/GBFeature/GBFeature_quals (product, inference)
2,3-dihydroxybenzoate-AMP ligase [Parageobacillus sp. KH3-4]
NCBIProtein:BDG45613.1
enables

Functional gene-product role supported by the primary mechanistic model and KH3-4-derived recombinant preparations. This does not establish monomer sufficiency, fixed assembly stoichiometry or separately measured flux for every carrier-bound step.

2,3-Dihydroxybenzoate adenylation
MetaCyc:DHBAMPLIG-RXN
  • NCBIProtein:BDG45613.1

    Source assertion: The versioned GenPept entry BDG45613.1 identifies Parageobacillus sp. KH3-4, taxon 2916802, and its AP025627.1 coding region. The native gene product is distinguished from tagged experimental constructs and carrier classes.

    Source locationGBSeq[GBSeq_accession-version="BDG45613.1"]/GBSeq_definition; GBSeq_feature-table/GBFeature/GBFeature_quals (coded_by, db_xref, locus_tag)
  • PMID:39870587

    Source assertion: DhbE preferentially activates 2,3-DHB; the loading model transfers the activated acyl group to DhbB. The purified KH3-4-derived preparations support complete NRPS product formation, not a separate kinetic assay of every bound transfer.

    Source locationPDF p.4 Figure 1b; pp.7-8 Figure 5 and substrate-specificity paragraphs; pp.8-9 Figure 6
  • PMID:39870587

    Source assertion: Methods explicitly identify BDG45613 as the KH3-4 gene source for the recombinant protein. Tags and coexpression mean the preparation is not claimed to be an independently sequence-verified native full protein.

    Source locationPDF p.12, Experimental Section, Plasmid construction; pp.12-13 Production and purification
2,3-dihydroxybenzoate-AMP ligase [Parageobacillus sp. KH3-4]
NCBIProtein:BDG45613.1
enables

Functional gene-product role supported by the primary mechanistic model and KH3-4-derived recombinant preparations. This does not establish monomer sufficiency, fixed assembly stoichiometry or separately measured flux for every carrier-bound step.

2,3-Dihydroxybenzoyl loading of DhbB
MetaCyc:RXN-19449
  • NCBIProtein:BDG45613.1

    Source assertion: The versioned GenPept entry BDG45613.1 identifies Parageobacillus sp. KH3-4, taxon 2916802, and its AP025627.1 coding region. The native gene product is distinguished from tagged experimental constructs and carrier classes.

    Source locationGBSeq[GBSeq_accession-version="BDG45613.1"]/GBSeq_definition; GBSeq_feature-table/GBFeature/GBFeature_quals (coded_by, db_xref, locus_tag)
  • PMID:39870587

    Source assertion: DhbE preferentially activates 2,3-DHB; the loading model transfers the activated acyl group to DhbB. The purified KH3-4-derived preparations support complete NRPS product formation, not a separate kinetic assay of every bound transfer.

    Source locationPDF p.4 Figure 1b; pp.7-8 Figure 5 and substrate-specificity paragraphs; pp.8-9 Figure 6
  • PMID:39870587

    Source assertion: Methods explicitly identify BDG45613 as the KH3-4 gene source for the recombinant protein. Tags and coexpression mean the preparation is not claimed to be an independently sequence-verified native full protein.

    Source locationPDF p.12, Experimental Section, Plasmid construction; pp.12-13 Production and purification
dimodular nonribosomal peptide synthase [Parageobacillus sp. KH3-4]
NCBIProtein:BDG45615.1
enables

Functional gene-product role supported by the primary mechanistic model and KH3-4-derived recombinant preparations. This does not establish monomer sufficiency, fixed assembly stoichiometry or separately measured flux for every carrier-bound step.

Glycine adenylation
MetaCyc:RXN-9376
  • NCBIProtein:BDG45615.1

    Source assertion: The versioned GenPept entry BDG45615.1 identifies Parageobacillus sp. KH3-4, taxon 2916802, and its AP025627.1 coding region. The native gene product is distinguished from tagged experimental constructs and carrier classes.

    Source locationGBSeq[GBSeq_accession-version="BDG45615.1"]/GBSeq_definition; GBSeq_feature-table/GBFeature/GBFeature_quals (coded_by, db_xref, locus_tag)
  • PMID:39870587

    Source assertion: DhbF module 1 prefers glycine and module 2 L-threonine. Figure 1b assigns loading, condensations and TE cyclorelease; purified KH3-4-derived NRPS preparations generate bacillibactin. Not every bound transfer was assayed separately.

    Source locationPDF p.4 Figure 1b; pp.7-8 Figure 5 and substrate-specificity paragraphs; pp.8-9 Figure 6
  • PMID:39870587

    Source assertion: Methods explicitly identify BDG45615 as the KH3-4 gene source for the recombinant protein. Tags and coexpression mean the preparation is not claimed to be an independently sequence-verified native full protein.

    Source locationPDF p.12, Experimental Section, Plasmid construction; pp.12-13 Production and purification
dimodular nonribosomal peptide synthase [Parageobacillus sp. KH3-4]
NCBIProtein:BDG45615.1
enables

Functional gene-product role supported by the primary mechanistic model and KH3-4-derived recombinant preparations. This does not establish monomer sufficiency, fixed assembly stoichiometry or separately measured flux for every carrier-bound step.

Glycyl loading of DhbF
MetaCyc:RXN-19458
  • NCBIProtein:BDG45615.1

    Source assertion: The versioned GenPept entry BDG45615.1 identifies Parageobacillus sp. KH3-4, taxon 2916802, and its AP025627.1 coding region. The native gene product is distinguished from tagged experimental constructs and carrier classes.

    Source locationGBSeq[GBSeq_accession-version="BDG45615.1"]/GBSeq_definition; GBSeq_feature-table/GBFeature/GBFeature_quals (coded_by, db_xref, locus_tag)
  • PMID:39870587

    Source assertion: DhbF module 1 prefers glycine and module 2 L-threonine. Figure 1b assigns loading, condensations and TE cyclorelease; purified KH3-4-derived NRPS preparations generate bacillibactin. Not every bound transfer was assayed separately.

    Source locationPDF p.4 Figure 1b; pp.7-8 Figure 5 and substrate-specificity paragraphs; pp.8-9 Figure 6
  • PMID:39870587

    Source assertion: Methods explicitly identify BDG45615 as the KH3-4 gene source for the recombinant protein. Tags and coexpression mean the preparation is not claimed to be an independently sequence-verified native full protein.

    Source locationPDF p.12, Experimental Section, Plasmid construction; pp.12-13 Production and purification
dimodular nonribosomal peptide synthase [Parageobacillus sp. KH3-4]
NCBIProtein:BDG45615.1
enables

Functional gene-product role supported by the primary mechanistic model and KH3-4-derived recombinant preparations. This does not establish monomer sufficiency, fixed assembly stoichiometry or separately measured flux for every carrier-bound step.

Dihydroxybenzoyl-glycyl condensation
MetaCyc:RXN-19460
  • NCBIProtein:BDG45615.1

    Source assertion: The versioned GenPept entry BDG45615.1 identifies Parageobacillus sp. KH3-4, taxon 2916802, and its AP025627.1 coding region. The native gene product is distinguished from tagged experimental constructs and carrier classes.

    Source locationGBSeq[GBSeq_accession-version="BDG45615.1"]/GBSeq_definition; GBSeq_feature-table/GBFeature/GBFeature_quals (coded_by, db_xref, locus_tag)
  • PMID:39870587

    Source assertion: DhbF module 1 prefers glycine and module 2 L-threonine. Figure 1b assigns loading, condensations and TE cyclorelease; purified KH3-4-derived NRPS preparations generate bacillibactin. Not every bound transfer was assayed separately.

    Source locationPDF p.4 Figure 1b; pp.7-8 Figure 5 and substrate-specificity paragraphs; pp.8-9 Figure 6
  • PMID:39870587

    Source assertion: Methods explicitly identify BDG45615 as the KH3-4 gene source for the recombinant protein. Tags and coexpression mean the preparation is not claimed to be an independently sequence-verified native full protein.

    Source locationPDF p.12, Experimental Section, Plasmid construction; pp.12-13 Production and purification
dimodular nonribosomal peptide synthase [Parageobacillus sp. KH3-4]
NCBIProtein:BDG45615.1
enables

Functional gene-product role supported by the primary mechanistic model and KH3-4-derived recombinant preparations. This does not establish monomer sufficiency, fixed assembly stoichiometry or separately measured flux for every carrier-bound step.

L-Threonine adenylation
MetaCyc:RXN-9377
  • NCBIProtein:BDG45615.1

    Source assertion: The versioned GenPept entry BDG45615.1 identifies Parageobacillus sp. KH3-4, taxon 2916802, and its AP025627.1 coding region. The native gene product is distinguished from tagged experimental constructs and carrier classes.

    Source locationGBSeq[GBSeq_accession-version="BDG45615.1"]/GBSeq_definition; GBSeq_feature-table/GBFeature/GBFeature_quals (coded_by, db_xref, locus_tag)
  • PMID:39870587

    Source assertion: DhbF module 1 prefers glycine and module 2 L-threonine. Figure 1b assigns loading, condensations and TE cyclorelease; purified KH3-4-derived NRPS preparations generate bacillibactin. Not every bound transfer was assayed separately.

    Source locationPDF p.4 Figure 1b; pp.7-8 Figure 5 and substrate-specificity paragraphs; pp.8-9 Figure 6
  • PMID:39870587

    Source assertion: Methods explicitly identify BDG45615 as the KH3-4 gene source for the recombinant protein. Tags and coexpression mean the preparation is not claimed to be an independently sequence-verified native full protein.

    Source locationPDF p.12, Experimental Section, Plasmid construction; pp.12-13 Production and purification
dimodular nonribosomal peptide synthase [Parageobacillus sp. KH3-4]
NCBIProtein:BDG45615.1
enables

Functional gene-product role supported by the primary mechanistic model and KH3-4-derived recombinant preparations. This does not establish monomer sufficiency, fixed assembly stoichiometry or separately measured flux for every carrier-bound step.

L-Threonyl loading of DhbF
MetaCyc:RXN-19452
  • NCBIProtein:BDG45615.1

    Source assertion: The versioned GenPept entry BDG45615.1 identifies Parageobacillus sp. KH3-4, taxon 2916802, and its AP025627.1 coding region. The native gene product is distinguished from tagged experimental constructs and carrier classes.

    Source locationGBSeq[GBSeq_accession-version="BDG45615.1"]/GBSeq_definition; GBSeq_feature-table/GBFeature/GBFeature_quals (coded_by, db_xref, locus_tag)
  • PMID:39870587

    Source assertion: DhbF module 1 prefers glycine and module 2 L-threonine. Figure 1b assigns loading, condensations and TE cyclorelease; purified KH3-4-derived NRPS preparations generate bacillibactin. Not every bound transfer was assayed separately.

    Source locationPDF p.4 Figure 1b; pp.7-8 Figure 5 and substrate-specificity paragraphs; pp.8-9 Figure 6
  • PMID:39870587

    Source assertion: Methods explicitly identify BDG45615 as the KH3-4 gene source for the recombinant protein. Tags and coexpression mean the preparation is not claimed to be an independently sequence-verified native full protein.

    Source locationPDF p.12, Experimental Section, Plasmid construction; pp.12-13 Production and purification
dimodular nonribosomal peptide synthase [Parageobacillus sp. KH3-4]
NCBIProtein:BDG45615.1
enables

Functional gene-product role supported by the primary mechanistic model and KH3-4-derived recombinant preparations. This does not establish monomer sufficiency, fixed assembly stoichiometry or separately measured flux for every carrier-bound step.

Dihydroxybenzoyl-glycyl-L-threonyl condensation
MetaCyc:RXN-19461
  • NCBIProtein:BDG45615.1

    Source assertion: The versioned GenPept entry BDG45615.1 identifies Parageobacillus sp. KH3-4, taxon 2916802, and its AP025627.1 coding region. The native gene product is distinguished from tagged experimental constructs and carrier classes.

    Source locationGBSeq[GBSeq_accession-version="BDG45615.1"]/GBSeq_definition; GBSeq_feature-table/GBFeature/GBFeature_quals (coded_by, db_xref, locus_tag)
  • PMID:39870587

    Source assertion: DhbF module 1 prefers glycine and module 2 L-threonine. Figure 1b assigns loading, condensations and TE cyclorelease; purified KH3-4-derived NRPS preparations generate bacillibactin. Not every bound transfer was assayed separately.

    Source locationPDF p.4 Figure 1b; pp.7-8 Figure 5 and substrate-specificity paragraphs; pp.8-9 Figure 6
  • PMID:39870587

    Source assertion: Methods explicitly identify BDG45615 as the KH3-4 gene source for the recombinant protein. Tags and coexpression mean the preparation is not claimed to be an independently sequence-verified native full protein.

    Source locationPDF p.12, Experimental Section, Plasmid construction; pp.12-13 Production and purification
dimodular nonribosomal peptide synthase [Parageobacillus sp. KH3-4]
NCBIProtein:BDG45615.1
enables

Functional gene-product role supported by the primary mechanistic model and KH3-4-derived recombinant preparations. This does not establish monomer sufficiency, fixed assembly stoichiometry or separately measured flux for every carrier-bound step.

Bacillibactin trimerization and cyclorelease
MetaCyc:RXN-19462
  • NCBIProtein:BDG45615.1

    Source assertion: The versioned GenPept entry BDG45615.1 identifies Parageobacillus sp. KH3-4, taxon 2916802, and its AP025627.1 coding region. The native gene product is distinguished from tagged experimental constructs and carrier classes.

    Source locationGBSeq[GBSeq_accession-version="BDG45615.1"]/GBSeq_definition; GBSeq_feature-table/GBFeature/GBFeature_quals (coded_by, db_xref, locus_tag)
  • PMID:39870587

    Source assertion: DhbF module 1 prefers glycine and module 2 L-threonine. Figure 1b assigns loading, condensations and TE cyclorelease; purified KH3-4-derived NRPS preparations generate bacillibactin. Not every bound transfer was assayed separately.

    Source locationPDF p.4 Figure 1b; pp.7-8 Figure 5 and substrate-specificity paragraphs; pp.8-9 Figure 6
  • PMID:39870587

    Source assertion: Methods explicitly identify BDG45615 as the KH3-4 gene source for the recombinant protein. Tags and coexpression mean the preparation is not claimed to be an independently sequence-verified native full protein.

    Source locationPDF p.12, Experimental Section, Plasmid construction; pp.12-13 Production and purification
Chorismate isomerization
MetaCyc:ISOCHORSYN-RXN
part_of

MetaCyc:PWY-5903
  • MetaCyc:PWY-5901

    Source assertion: The original reaction-list includes ISOCHORSYN-RXN; this complete module member is retained in the chorismate-to-bacillibactin route.

    Source locationPathway[@frameid="PWY-5901"]/reaction-list/Reaction
  • MetaCyc:PWY-5903

    Source assertion: PWY-5903 explicitly includes PWY-5901 as its upstream nested pathway.

    Source locationPathway[@frameid="PWY-5903"]/reaction-list/Pathway
Isochorismate hydrolysis
MetaCyc:ISOCHORMAT-RXN
part_of

MetaCyc:PWY-5903
  • MetaCyc:PWY-5901

    Source assertion: The original reaction-list includes ISOCHORMAT-RXN; this complete module member is retained in the chorismate-to-bacillibactin route.

    Source locationPathway[@frameid="PWY-5901"]/reaction-list/Reaction
  • MetaCyc:PWY-5903

    Source assertion: PWY-5903 explicitly includes PWY-5901 as its upstream nested pathway.

    Source locationPathway[@frameid="PWY-5903"]/reaction-list/Pathway
Dihydrodihydroxybenzoate oxidation
MetaCyc:DHBDEHYD-RXN
part_of

MetaCyc:PWY-5903
  • MetaCyc:PWY-5901

    Source assertion: The original reaction-list includes DHBDEHYD-RXN; this complete module member is retained in the chorismate-to-bacillibactin route.

    Source locationPathway[@frameid="PWY-5901"]/reaction-list/Reaction
  • MetaCyc:PWY-5903

    Source assertion: PWY-5903 explicitly includes PWY-5901 as its upstream nested pathway.

    Source locationPathway[@frameid="PWY-5903"]/reaction-list/Pathway
2,3-Dihydroxybenzoate adenylation
MetaCyc:DHBAMPLIG-RXN
part_of

MetaCyc:PWY-5903
  • MetaCyc:PWY-5903

    Source assertion: The original reaction-list includes DHBAMPLIG-RXN; this complete module member is retained in the chorismate-to-bacillibactin route.

    Source locationPathway[@frameid="PWY-5903"]/reaction-list/Reaction
2,3-Dihydroxybenzoyl loading of DhbB
MetaCyc:RXN-19449
part_of

MetaCyc:PWY-5903
  • MetaCyc:PWY-5903

    Source assertion: The original reaction-list includes RXN-19449; this complete module member is retained in the chorismate-to-bacillibactin route.

    Source locationPathway[@frameid="PWY-5903"]/reaction-list/Reaction
Glycine adenylation
MetaCyc:RXN-9376
part_of

MetaCyc:PWY-5903
  • MetaCyc:PWY-5903

    Source assertion: The original reaction-list includes RXN-9376; this complete module member is retained in the chorismate-to-bacillibactin route.

    Source locationPathway[@frameid="PWY-5903"]/reaction-list/Reaction
Glycyl loading of DhbF
MetaCyc:RXN-19458
part_of

MetaCyc:PWY-5903
  • MetaCyc:PWY-5903

    Source assertion: The original reaction-list includes RXN-19458; this complete module member is retained in the chorismate-to-bacillibactin route.

    Source locationPathway[@frameid="PWY-5903"]/reaction-list/Reaction
Dihydroxybenzoyl-glycyl condensation
MetaCyc:RXN-19460
part_of

MetaCyc:PWY-5903
  • MetaCyc:PWY-5903

    Source assertion: The original reaction-list includes RXN-19460; this complete module member is retained in the chorismate-to-bacillibactin route.

    Source locationPathway[@frameid="PWY-5903"]/reaction-list/Reaction
L-Threonine adenylation
MetaCyc:RXN-9377
part_of

MetaCyc:PWY-5903
  • MetaCyc:PWY-5903

    Source assertion: The original reaction-list includes RXN-9377; this complete module member is retained in the chorismate-to-bacillibactin route.

    Source locationPathway[@frameid="PWY-5903"]/reaction-list/Reaction
L-Threonyl loading of DhbF
MetaCyc:RXN-19452
part_of

MetaCyc:PWY-5903
  • MetaCyc:PWY-5903

    Source assertion: The original reaction-list includes RXN-19452; this complete module member is retained in the chorismate-to-bacillibactin route.

    Source locationPathway[@frameid="PWY-5903"]/reaction-list/Reaction
Dihydroxybenzoyl-glycyl-L-threonyl condensation
MetaCyc:RXN-19461
part_of

MetaCyc:PWY-5903
  • MetaCyc:PWY-5903

    Source assertion: The original reaction-list includes RXN-19461; this complete module member is retained in the chorismate-to-bacillibactin route.

    Source locationPathway[@frameid="PWY-5903"]/reaction-list/Reaction
Bacillibactin trimerization and cyclorelease
MetaCyc:RXN-19462
part_of

MetaCyc:PWY-5903
  • MetaCyc:PWY-5903

    Source assertion: The original reaction-list includes RXN-19462; this complete module member is retained in the chorismate-to-bacillibactin route.

    Source locationPathway[@frameid="PWY-5903"]/reaction-list/Reaction
Chorismate isomerization
MetaCyc:ISOCHORSYN-RXN
provides_input_for

Shared intermediate: MetaCyc:ISOCHORISMATE. This is a chemical handoff, not an assertion of physical channeling or a single linear activation order.

Isochorismate hydrolysis
MetaCyc:ISOCHORMAT-RXN
  • MetaCyc:ISOCHORSYN-RXN

    Source assertion: The native product slot contains ISOCHORISMATE.

    Source locationReaction[@frameid="ISOCHORSYN-RXN"]/right/*[@frameid="ISOCHORISMATE"]
  • MetaCyc:ISOCHORMAT-RXN

    Source assertion: The native substrate slot contains ISOCHORISMATE.

    Source locationReaction[@frameid="ISOCHORMAT-RXN"]/left/*[@frameid="ISOCHORISMATE"]
Isochorismate hydrolysis
MetaCyc:ISOCHORMAT-RXN
provides_input_for

Shared intermediate: MetaCyc:DIHYDRO-DIOH-BENZOATE. This is a chemical handoff, not an assertion of physical channeling or a single linear activation order.

Dihydrodihydroxybenzoate oxidation
MetaCyc:DHBDEHYD-RXN
  • MetaCyc:ISOCHORMAT-RXN

    Source assertion: The native product slot contains DIHYDRO-DIOH-BENZOATE.

    Source locationReaction[@frameid="ISOCHORMAT-RXN"]/right/*[@frameid="DIHYDRO-DIOH-BENZOATE"]
  • MetaCyc:DHBDEHYD-RXN

    Source assertion: The native substrate slot contains DIHYDRO-DIOH-BENZOATE.

    Source locationReaction[@frameid="DHBDEHYD-RXN"]/left/*[@frameid="DIHYDRO-DIOH-BENZOATE"]
Dihydrodihydroxybenzoate oxidation
MetaCyc:DHBDEHYD-RXN
provides_input_for

Shared intermediate: MetaCyc:2-3-DIHYDROXYBENZOATE. This is a chemical handoff, not an assertion of physical channeling or a single linear activation order.

2,3-Dihydroxybenzoate adenylation
MetaCyc:DHBAMPLIG-RXN
  • MetaCyc:DHBDEHYD-RXN

    Source assertion: The native product slot contains 2-3-DIHYDROXYBENZOATE.

    Source locationReaction[@frameid="DHBDEHYD-RXN"]/right/*[@frameid="2-3-DIHYDROXYBENZOATE"]
  • MetaCyc:DHBAMPLIG-RXN

    Source assertion: The native substrate slot contains 2-3-DIHYDROXYBENZOATE.

    Source locationReaction[@frameid="DHBAMPLIG-RXN"]/left/*[@frameid="2-3-DIHYDROXYBENZOATE"]
2,3-Dihydroxybenzoate adenylation
MetaCyc:DHBAMPLIG-RXN
provides_input_for

Shared intermediate: MetaCyc:CPD-62. This is a chemical handoff, not an assertion of physical channeling or a single linear activation order.

2,3-Dihydroxybenzoyl loading of DhbB
MetaCyc:RXN-19449
  • MetaCyc:DHBAMPLIG-RXN

    Source assertion: The native product slot contains CPD-62.

    Source locationReaction[@frameid="DHBAMPLIG-RXN"]/right/*[@frameid="CPD-62"]
  • MetaCyc:RXN-19449

    Source assertion: The native substrate slot contains CPD-62.

    Source locationReaction[@frameid="RXN-19449"]/left/*[@frameid="CPD-62"]
2,3-Dihydroxybenzoyl loading of DhbB
MetaCyc:RXN-19449
provides_input_for

Shared intermediate: MetaCyc:23-dihydroxybenzoyl-DhbB. This is a chemical handoff, not an assertion of physical channeling or a single linear activation order.

Dihydroxybenzoyl-glycyl condensation
MetaCyc:RXN-19460
  • MetaCyc:RXN-19449

    Source assertion: The native product slot contains 23-dihydroxybenzoyl-DhbB.

    Source locationReaction[@frameid="RXN-19449"]/right/*[@frameid="23-dihydroxybenzoyl-DhbB"]
  • MetaCyc:RXN-19460

    Source assertion: The native substrate slot contains 23-dihydroxybenzoyl-DhbB.

    Source locationReaction[@frameid="RXN-19460"]/left/*[@frameid="23-dihydroxybenzoyl-DhbB"]
Glycine adenylation
MetaCyc:RXN-9376
provides_input_for

Shared intermediate: MetaCyc:CPD-9993. This is a chemical handoff, not an assertion of physical channeling or a single linear activation order.

Glycyl loading of DhbF
MetaCyc:RXN-19458
  • MetaCyc:RXN-9376

    Source assertion: The native product slot contains CPD-9993.

    Source locationReaction[@frameid="RXN-9376"]/right/*[@frameid="CPD-9993"]
  • MetaCyc:RXN-19458

    Source assertion: The native substrate slot contains CPD-9993.

    Source locationReaction[@frameid="RXN-19458"]/left/*[@frameid="CPD-9993"]
Glycyl loading of DhbF
MetaCyc:RXN-19458
provides_input_for

Shared intermediate: MetaCyc:Glycyl-DhbF. This is a chemical handoff, not an assertion of physical channeling or a single linear activation order.

Dihydroxybenzoyl-glycyl condensation
MetaCyc:RXN-19460
  • MetaCyc:RXN-19458

    Source assertion: The native product slot contains Glycyl-DhbF.

    Source locationReaction[@frameid="RXN-19458"]/right/*[@frameid="Glycyl-DhbF"]
  • MetaCyc:RXN-19460

    Source assertion: The native substrate slot contains Glycyl-DhbF.

    Source locationReaction[@frameid="RXN-19460"]/left/*[@frameid="Glycyl-DhbF"]
Dihydroxybenzoyl-glycyl condensation
MetaCyc:RXN-19460
provides_input_for

Shared intermediate: MetaCyc:DHB-glycyl-DhbF. This is a chemical handoff, not an assertion of physical channeling or a single linear activation order.

Dihydroxybenzoyl-glycyl-L-threonyl condensation
MetaCyc:RXN-19461
  • MetaCyc:RXN-19460

    Source assertion: The native product slot contains DHB-glycyl-DhbF.

    Source locationReaction[@frameid="RXN-19460"]/right/*[@frameid="DHB-glycyl-DhbF"]
  • MetaCyc:RXN-19461

    Source assertion: The native substrate slot contains DHB-glycyl-DhbF.

    Source locationReaction[@frameid="RXN-19461"]/left/*[@frameid="DHB-glycyl-DhbF"]
L-Threonine adenylation
MetaCyc:RXN-9377
provides_input_for

Shared intermediate: MetaCyc:CPD-9994. This is a chemical handoff, not an assertion of physical channeling or a single linear activation order.

L-Threonyl loading of DhbF
MetaCyc:RXN-19452
  • MetaCyc:RXN-9377

    Source assertion: The native product slot contains CPD-9994.

    Source locationReaction[@frameid="RXN-9377"]/right/*[@frameid="CPD-9994"]
  • MetaCyc:RXN-19452

    Source assertion: The native substrate slot contains CPD-9994.

    Source locationReaction[@frameid="RXN-19452"]/left/*[@frameid="CPD-9994"]
L-Threonyl loading of DhbF
MetaCyc:RXN-19452
provides_input_for

Shared intermediate: MetaCyc:Threonyl-DhbF. This is a chemical handoff, not an assertion of physical channeling or a single linear activation order.

Dihydroxybenzoyl-glycyl-L-threonyl condensation
MetaCyc:RXN-19461
  • MetaCyc:RXN-19452

    Source assertion: The native product slot contains Threonyl-DhbF.

    Source locationReaction[@frameid="RXN-19452"]/right/*[@frameid="Threonyl-DhbF"]
  • MetaCyc:RXN-19461

    Source assertion: The native substrate slot contains Threonyl-DhbF.

    Source locationReaction[@frameid="RXN-19461"]/left/*[@frameid="Threonyl-DhbF"]
Dihydroxybenzoyl-glycyl-L-threonyl condensation
MetaCyc:RXN-19461
provides_input_for

Shared intermediate: metanetx.chemical:MNXM743865. This is a chemical handoff, not an assertion of physical channeling or a single linear activation order.

Bacillibactin trimerization and cyclorelease
MetaCyc:RXN-19462
  • PMID:39870587

    Source assertion: The second DhbF condensation domain forms the DHB-Gly-L-Thr carrier-bound unit; the TE domain then mediates trimeric cyclorelease to bacillibactin.

    Source locationPDF p.4 Figure 1b and caption
  • metanetx.chemical:MNXM743865

    Source assertion: The selected intermediate is the independently named DHB-glycyl-L-threonyl DhbF reactive class; old arginyl cross-references are not exact mappings.

    Source locationUnique MolecularEntity JSON-LD: identifier, name, smiles
4'-phosphopantetheinyl transferase [Parageobacillus sp. KH3-4]
NCBIProtein:BDG45617.1
activates

Activation by phosphopantetheinylation in the KH3-4-derived preparation; DhbB modification was measured directly. The printed coexpression primer mismatch does not prove that an incorrect plasmid was used.

isochorismatase [Parageobacillus sp. KH3-4]
NCBIProtein:BDG45614.1
  • NCBIProtein:BDG45617.1

    Source assertion: The original versioned KH3-4 GenPept entry identifies the cluster 4-prime-phosphopantetheinyl transferase and its AP025627.1 coding region.

    Source locationGBSeq[GBSeq_accession-version="BDG45617.1"]/GBSeq_definition; GBSeq_feature-table/GBFeature/GBFeature_quals
  • PMID:39870587

    Source assertion: Methods identify BDG45617 as the KH3-4 PPTase gene and BDG45614/BDG45615 as DhbB/DhbF. The proteins were expressed with tags and/or coexpression; this identifies native gene sources, not fully verified engineered construct sequences.

    Source locationPDF p.12, Plasmid construction; pp.12-13, Production and purification
  • PMID:39870587

    Source assertion: Purified PPTase and CoA increase apo-DhbB mass by about 340 Da. The no-PPTase control and coexpression preparation support phosphopantetheinylation. The printed coexpression primer discrepancy limits exact construct reconstruction.

    Source locationPDF pp.5-6, PPTase Results and Figure 3; p.14, PPTase assay; p.19, SI Table S1
4'-phosphopantetheinyl transferase [Parageobacillus sp. KH3-4]
NCBIProtein:BDG45617.1
activates

PPTase-dependent activation model supported by coexpression and function. Both DhbF carrier-site occupancies were not directly measured; this is weaker evidence than the measured DhbB mass shift.

dimodular nonribosomal peptide synthase [Parageobacillus sp. KH3-4]
NCBIProtein:BDG45615.1
  • NCBIProtein:BDG45617.1

    Source assertion: The original versioned KH3-4 GenPept entry identifies the cluster 4-prime-phosphopantetheinyl transferase and its AP025627.1 coding region.

    Source locationGBSeq[GBSeq_accession-version="BDG45617.1"]/GBSeq_definition; GBSeq_feature-table/GBFeature/GBFeature_quals
  • PMID:39870587

    Source assertion: Methods identify BDG45617 as the KH3-4 PPTase gene and BDG45614/BDG45615 as DhbB/DhbF. The proteins were expressed with tags and/or coexpression; this identifies native gene sources, not fully verified engineered construct sequences.

    Source locationPDF p.12, Plasmid construction; pp.12-13, Production and purification
  • PMID:39870587

    Source assertion: DhbF was coexpressed with PPTase and the resulting preparation was used as holo-DhbF in active NRPS reconstitution. Its large mass excluded direct MALDI modification analysis; full site occupancy was not independently measured.

    Source locationPDF pp.5-7, PPTase Results and Figure 3 discussion; pp.12-14, coexpression and reconstitution Methods

References

Curation history