diff --git a/mite_data/data/06340ca6-7f7d-11f1-9115-dd113f401ed3.json b/mite_data/data/06340ca6-7f7d-11f1-9115-dd113f401ed3.json new file mode 100644 index 00000000..be798eda --- /dev/null +++ b/mite_data/data/06340ca6-7f7d-11f1-9115-dd113f401ed3.json @@ -0,0 +1,75 @@ +{ + "accession": "MITE9999999", + "status": "pending", + "comment": "Dichlorination of CoA-S-acetoacetyl in the chloramphenicol pathway. No specific flavin reductase was identified in this genecluster. Additional GenPept: AAK08979.2", + "changelog": [ + { + "version": "1", + "date": "2026-07-14", + "contributors": [ + "0009-0000-8651-1669" + ], + "reviewers": [ + "BBBBBBBBBBBBBBBBBBBBBBBB" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "CmlS", + "description": "Flavin-dependent halogenase", + "references": [ + "doi:10.1016/j.jmb.2010.01.020" + ], + "auxiliaryEnzymes": [ + { + "name": "CmlK", + "description": "Long-chain fatty acid CoA ligase", + "databaseIds": { + "uniprot": "F2RB86", + "genpept": "CCA54214.1" + } + } + ], + "databaseIds": { + "uniprot": "F2RB87", + "genpept": "CCA54215.1", + "mibig": "BGC0000893" + }, + "cofactors": { + "organic": [ + "Coenzyme A", + "FAD", + "NAD", + "NADP" + ] + } + }, + "reactions": [ + { + "tailoring": [ + "Halogenation" + ], + "description": "Dichlorination of acetoacetyl-CoA, catalyzed through E44 residue, which removes structurally protons reducing the acidity in the pocket.", + "reactionSMARTS": "[#6]-[#6](-[#6:4]-[#6:5](-[#16:7]-[*])=[#8:6])=[#8]>>Cl-[#6:4](-[Cl])-[#6:5](-[#16:7]-[*])=[#8:6]", + "reactions": [ + { + "substrate": "*SC(=O)CC(C)=O", + "products": [ + "*SC(=O)C(Cl)Cl" + ], + "isIntermediate": true + } + ], + "evidence": { + "evidenceCode": [ + "Knock-out studies" + ], + "references": [ + "doi:10.1016/j.jmb.2010.01.020", + "doi:10.1099/mic.0.26319-0" + ] + } + } + ] +} \ No newline at end of file