actinonin
naturalproductmech:mibig-30a67209ce MINTED SEEDED cytotoxicenzyme inhibitortoxin
Structure
| Standard InChIKey | XJLATMLVMSFZBN-VYDXJSESSA-N |
|---|---|
| SMILES | [H][C@@](CCCCC)(CC(=O)NO)C(=O)N[C@@]([H])(C(C)C)C(=O)N1CCC[C@H]1CO |
| Stereochemistry | fully defined |
| Cross-references | npatlas:NPA07269, pubchem:443600 |
Filing pathway
Amino acids and peptides — computed by NPClassifier npclassifier.gnps2.org@2026-09-07, which is why it is pinned rather than recomputed. The gene cluster's asserted class is nrps, from MIBiG.
Producer organisms 1
A claim that this taxon makes the compound. The basis says what the evidence addressed — a knockout and a database assertion are not the same claim.
| Taxon | Basis | Cluster | Evidence |
|---|---|---|---|
| Streptomyces sp. strain ATCC 14903 NCBITaxon:1931 |
SOURCE_ASSERTION | mibig:BGC0001442 | PMID:13900478 |
Occurrences 2
Somebody found the compound in this organism and cited it. That is not a claim that the organism makes it, and nothing here promotes one to the other.
| Taxon | Source | Reference |
|---|---|---|
| Streptomyces NCBITaxon:1883 |
LOTUS | DOI:10.1039/P19750000819 |
| Streptomyces NCBITaxon:1883 |
LOTUS | DOI:10.3389/FMICB.2016.01467 |
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0001442 | Streptomyces sp. strain ATCC 14903 NCBITaxon:1931 |
CLUSTER_UNSTATED | genbank:KY906183.1 |
A locus claim and a taxon claim are different questions. Heterologous expression settles the first and leaves the second where the isolation report left it.
Causal graph — bioactivity 2 nodes, 1 edges
Actinonin inhibits Arabidopsis thaliana peptide deformylase 1B captured in the actinonin-bound PDB 3PN4 structure.
| Subject | Predicate | Object | Evidence |
|---|---|---|---|
| actinonin | inhibits | Arabidopsis thaliana peptide deformylase 1B | DOI:10.1371/journal.pbio.1001066 |
Every edge carries its own citation; an uncited edge is refused by the corpus tests.
Bioactivities 25
| Assay | Result | Reference |
|---|---|---|
| Experimentally measured binding affinity data (IC50) for protein-ligand complexes derived from PDB | IC50 0.01 uM | PMID:23407310 |
| Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB | KD 0.0045 uM | pubchem.aid:977611 |
| Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB | KD 0.048 uM | pubchem.aid:977611 |
| Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB | KD 0.032 uM | pubchem.aid:977611 |
| Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB | KD 0.395 uM | PMID:24531459 |
| Experimentally measured binding affinity data (Ki) for protein-ligand complexes derived from PDB | KI 0.14 uM | PMID:21629676 |
| Experimentally measured binding affinity data (Ki) for protein-ligand complexes derived from PDB | KI 0.0003 uM | PMID:12951107 |
| Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS | 2.6654 uM | pubchem.aid:504845 |
| Nrf2 qHTS screen for inhibitors: Validation | 16.3601 uM | pubchem.aid:493153 |
| Nrf2 qHTS screen for inhibitors: Validation | 16.3601 uM | pubchem.aid:493153 |
| Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression | 3.5481 uM | pubchem.aid:1671194 |
| Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression | 3.5481 uM | pubchem.aid:1671194 |
| Primary qHTS assay for inhibitors of human arachidonate 12S-lipoxygenase (ALOX12): Round 2 | 12.5893 uM | pubchem.aid:1671190 |
| Primary qHTS assay for inhibitors of human arachidonate 12S-lipoxygenase (ALOX12): Round 2 | 12.5893 uM | pubchem.aid:1671190 |
| Primary qHTS to identify anti-liver cancer compounds using libraries of approved drugs and bioactive compounds | 11.2202 uM | pubchem.aid:2202548 |
| Quantitative high throughput screen for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation | 2.9362 uM | pubchem.aid:488752 |
| Quantitative high throughput screen for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation | 1.1689 uM | pubchem.aid:488745 |
| Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2 | 2.2387 uM | pubchem.aid:1479 |
| Validation qHTS for agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2) | 25.1189 uM | pubchem.aid:1645887 |
| Validation qHTS for agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2) | 25.1189 uM | pubchem.aid:1645887 |
| Validation screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1 | 9.1962 uM | pubchem.aid:493106 |
| Validation screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1 | 3.6611 uM | pubchem.aid:493107 |
| qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction | 31.6228 uM | pubchem.aid:1461 |
| qHTS Assay for Inhibitors of GCN5L2 | 39.8107 uM | pubchem.aid:504327 |
| qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a | 9.4662 uM | pubchem.aid:504332 |
Provenance
| Source concept | Source | Version |
|---|---|---|
| BGC0001442 | MIBIG | 5 |
This page is generated from data/natural_products/amino_acids_and_peptides/actinonin.yaml, which is generated from the committed inventories. Neither is edited by hand.