diff --git a/mite_data/data/MITE9999999.json b/mite_data/data/MITE9999999.json new file mode 100644 index 00000000..0a04852c --- /dev/null +++ b/mite_data/data/MITE9999999.json @@ -0,0 +1,58 @@ +{ + "accession": "MITE9999999", + "status": "active", + "comment": "Cyclopropanforming enzyme of \u03b3-chloroisoleucine thetered as thioester on the carrierprotein KtzC in the Kutzneride pathway. Stereochemistry could not be depicted due to incompatibility with validation engine.", + "changelog": [ + { + "version": "1", + "date": "2026-06-25", + "contributors": [ + "0009-0000-8651-1669" + ], + "reviewers": [ + "0000-0001-6534-6609" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "KtzA", + "description": "acyl-CoA dehydrogenase flavoprotein", + "references": [ + "doi:10.1021/ja8064667" + ], + "databaseIds": { + "uniprot": "UPI00015D3A85", + "genpept": "ABV56581.1", + "mibig": "BGC0000378" + } + }, + "reactions": [ + { + "tailoring": [ + "Cyclization" + ], + "description": "KtzA deprotonates the C\u03b1 resulting in an intramolecular attack on the C\u03b3, eliminating the chlor substituent which forces the collaps into a cyclopropane ring", + "reactionSMARTS": "[#6:1]-[#6:2]-[#6:3](-[#6:5](-[#6:7](-[#16:9]-[*])=[#8:8])-[#7:6])-[#6:4]-[Cl]>>[*]-[#16:9]-[#6:7](-[#6:5]1(-[#6:3](-[#6:2]-[#6:1])-[#6:4]-1)-[#7:6])=[#8:8]", + "reactions": [ + { + "substrate": "*SC(=O)C(N)C(CC)CCl", + "products": [ + "*SC(=O)C1(N)CC1CC" + ], + "isIntermediate": true, + "description": "Cyclization of \u03b3-chloroisoleucine thioester" + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression", + "In vitro assay" + ], + "references": [ + "doi:10.1021/ja8064667" + ] + } + } + ] +} \ No newline at end of file