diff --git a/mite_data/data/13c5e2a6-5163-11f1-9ef6-bb4e59819b6d.json b/mite_data/data/13c5e2a6-5163-11f1-9ef6-bb4e59819b6d.json new file mode 100644 index 00000000..d01e445c --- /dev/null +++ b/mite_data/data/13c5e2a6-5163-11f1-9ef6-bb4e59819b6d.json @@ -0,0 +1,64 @@ +{ + "accession": "MITE9999999", + "status": "pending", + "changelog": [ + { + "version": "1", + "date": "2026-05-16", + "contributors": [ + "0000-0002-0771-9611" + ], + "reviewers": [ + "BBBBBBBBBBBBBBBBBBBBBBBB" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "AscH", + "description": "Cytochrome P450 monooxygenase", + "references": [ + "doi:10.1073/pnas.1819254116" + ], + "databaseIds": { + "uniprot": "A0A455R624", + "genpept": "BBF25322.1", + "mibig": "BGC0001924" + }, + "cofactors": { + "organic": [ + "NADP" + ] + } + }, + "reactions": [ + { + "tailoring": [ + "Hydroxylation" + ], + "description": "Ilicicolin A epoxide is hydroxylated by AscH to give 16-hydroxy-ilicicolin A epoxide.", + "reactionSMARTS": "[#6]1(-[#8;-]):[#6](-[#6]-[#6]=[#6](-[#6])-[#6]-[#6]-[#6]=[#6](-[#6])-[#6]-[#6]\\[#6@@]2-[#8]-[#6]-2(-[#6])-[#6]):[#6](-[#8]):[#6](-[#6]=[#8]):[#6](-[#6]):[#6]:1-[Cl]>>[#6]1(-[#8;-]):[#6](-[#6]-[#6]=[#6](-[#6])-[#6]-[#6]-[#6]=[#6](-[#6])-[#6@@](/[#8])-[#6]\\[#6@@]2-[#8]-[#6]-2(-[#6])-[#6]):[#6](-[#8]):[#6](-[#6]=[#8]):[#6](-[#6]):[#6]:1-[Cl]", + "reactions": [ + { + "substrate": "C/C(=C\\Cc1c([O-])c(Cl)c(C)c(C=O)c1O)CC/C=C(\\C)CC[C@@H]1OC1(C)C", + "products": [ + "CC(=CCc1c([O-])c(Cl)c(C)c(C=O)c1O)CCC=C(C)[C@@H](O)C[C@@H]1OC1(C)C" + ], + "isIntermediate": true + } + ], + "evidence": { + "evidenceCode": [ + "In vitro assay", + "Knock-out studies" + ], + "references": [ + "doi:10.1073/pnas.1819254116" + ] + }, + "databaseIds": { + "rhea": "63104" + } + } + ] +} \ No newline at end of file