diff --git a/mite_data/data/769a7f0a-5095-11f1-9ef6-bb4e59819b6d.json b/mite_data/data/769a7f0a-5095-11f1-9ef6-bb4e59819b6d.json new file mode 100644 index 00000000..0d9125d2 --- /dev/null +++ b/mite_data/data/769a7f0a-5095-11f1-9ef6-bb4e59819b6d.json @@ -0,0 +1,74 @@ +{ + "accession": "MITE9999999", + "status": "pending", + "comment": "Oxidative ring rearrangement and decarboxylation of 7-chloro-L-tryptophan to monodechloroaminopyrrolnitrin.", + "changelog": [ + { + "version": "1", + "date": "2026-05-15", + "contributors": [ + "0009-0005-2489-2079" + ], + "reviewers": [ + "BBBBBBBBBBBBBBBBBBBBBBBB" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "PrnB", + "description": "Heme-dependent oxygenase", + "references": [ + "doi:10.1021/bi7012189" + ], + "databaseIds": { + "uniprot": "P95481", + "genpept": "ABW69175.1", + "mibig": "BGC0000924" + }, + "cofactors": { + "organic": [ + "Heme" + ] + } + }, + "reactions": [ + { + "tailoring": [ + "Decarboxylation", + "Heterocyclization", + "Oxidation", + "Ring contraction" + ], + "description": "Oxidative indole ring rearrangement and decarboxylation of 7-chloro-L-tryptophan to monodechloroaminopyrrolnitrin.", + "reactionSMARTS": "N[C@@H](Cc1c[nH]c2c(Cl)cccc12)C(=O)O>>Nc1c(Cl)cccc1-c1cc[nH]c1", + "reactions": [ + { + "substrate": "N[C@@H](Cc1c[nH]c2c(Cl)cccc12)C(=O)O", + "products": [ + "Nc1c(Cl)cccc1-c1cc[nH]c1" + ], + "isIntermediate": true, + "description": "PrnB converts 7-chloro-L-tryptophan to monodechloroaminopyrrolnitrin by oxidative indole rearrangement and decarboxylation." + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression", + "Inference from genomic data and chemical structure", + "In vitro assay", + "Knock-out studies", + "Site-directed mutagenesis" + ], + "references": [ + "doi:10.1021/bi7012189", + "doi:10.1074/jbc.M110.120485", + "doi:10.1016/j.jbc.2024.108123" + ] + }, + "databaseIds": { + "rhea": "50952" + } + } + ] +} \ No newline at end of file