diff --git a/mite_data/data/MITE0000350.json b/mite_data/data/MITE0000350.json new file mode 100644 index 00000000..ce8dfdc3 --- /dev/null +++ b/mite_data/data/MITE0000350.json @@ -0,0 +1,71 @@ +{ + "accession": "MITE0000350", + "status": "active", + "changelog": [ + { + "version": "1", + "date": "2026-05-06", + "contributors": [ + "0009-0000-8651-1669" + ], + "reviewers": [ + "0000-0001-6534-6609" + ], + "comment": "New entry. Reviewer 1 expanded descriptions, fixed substrate specificity, and fixed DOIs." + } + ], + "enzyme": { + "name": "Ulm24", + "description": "Flavin-dependent halogenase", + "references": [ + "doi:10.1021/acs.jnatprod.7b00660" + ], + "auxiliaryEnzymes": [ + { + "name": "Ulm26", + "description": "Flavin reductase", + "databaseIds": { + "uniprot": "A0A2D3E324", + "genpept": "ATU31803.1" + } + } + ], + "databaseIds": { + "uniprot": "A0A2D3E318", + "genpept": "ATU31801.1", + "mibig": "BGC0001814" + }, + "cofactors": { + "organic": [ + "FAD" + ] + } + }, + "reactions": [ + { + "tailoring": [ + "Halogenation" + ], + "description": "5-halogenation of L-tryptophan in the ulleungmycin pathway. Exact occurrence of halogenation in the pathway currently undefined.", + "reactionSMARTS": "[#7:1]\\[#6@:2](-[#6:13]=[#8:14])-[#6:3]-[#6:4]1:[#6:8]2:[#6:9]:[#6:10]:[#6:11]:[#6:12]:[#6:7]:2:[#7:6]:[#6:5]:1>>[#7:1]\\[#6@:2](-[#6:13]=[#8:14])-[#6:3]-[#6:4]1:[#6:8]2:[#6:9]:[#6:10](-[Cl]):[#6:11]:[#6:12]:[#6:7]:2:[#7:6]:[#6:5]:1", + "reactions": [ + { + "substrate": "N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O", + "products": [ + "N[C@@H](Cc1c[nH]c2ccc(Cl)cc12)C(=O)O" + ], + "isIntermediate": false, + "description": "Halogenation of free-floating tryptophan as precursor used in the ulleungmycin pathway." + } + ], + "evidence": { + "evidenceCode": [ + "Inference from genomic data and chemical structure" + ], + "references": [ + "doi:10.1021/acs.jnatprod.7b00660" + ] + } + } + ] +}