diff --git a/mite_data/data/43d1f5f4-e6ef-11f0-9d56-8218ec668ab3.json b/mite_data/data/43d1f5f4-e6ef-11f0-9d56-8218ec668ab3.json new file mode 100644 index 0000000..261f6af --- /dev/null +++ b/mite_data/data/43d1f5f4-e6ef-11f0-9d56-8218ec668ab3.json @@ -0,0 +1,68 @@ +{ + "accession": "MITE9999999", + "status": "pending", + "comment": "Uses phenylacetyl-CoA as cofactor", + "changelog": [ + { + "version": "1", + "date": "2026-01-01", + "contributors": [ + "AAAAAAAAAAAAAAAAAAAAAAAA" + ], + "reviewers": [ + "BBBBBBBBBBBBBBBBBBBBBBBB" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "PenDE", + "description": "Isopenicillin-N N-acyltransferase", + "references": [ + "doi:10.1038/ncomms15202", + "doi:10.1016/j.fgb.2006.03.001" + ], + "databaseIds": { + "uniprot": "UPI000002C83E", + "genpept": "ABA70584.1", + "mibig": "BGC0000404" + }, + "cofactors": { + "organic": [ + "Coenzyme A" + ] + } + }, + "reactions": [ + { + "tailoring": [ + "Other" + ], + "description": "Exchanges alpha-aminoadipyl with isopenicillin N in the benzylpenicillin pathway.", + "reactionSMARTS": "[#6:3]-[#6:2]1(-[#16:10]-[#6:9]2-[#7:5](-[#6:6](/[#6@:8]-2-[#7:11]-[#6](-[#6]-[#6]-[#6]-[#6@@](-[#6](=[#8])-[#8])/[#7])=[#8])=[#8:7])-[#6@:4]\\1-[#6:22](=[#8:24])-[#8:23])-[#6:1]>>[#6:3]-[#6:2]1(-[#16:10]-[#6:9]2-[#7:5](-[#6:6](/[#6@:8]-2-[#7:11]-[#6](=[#8])-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)=[#8:7])-[#6@:4]\\1-[#6:22](=[#8:24])-[#8:23])-[#6:1]", + "reactions": [ + { + "substrate": "CC1(C)SC2[C@H](NC(=O)CCC[C@H](N)C(=O)O)C(=O)N2[C@H]1C(=O)O", + "products": [ + "CC1(C)SC2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O" + ], + "isIntermediate": false, + "description": "Conversion of isopenicillin N to the mature product benzylpenicillin (penicillin G)." + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression", + "Knock-out studies" + ], + "references": [ + "doi:10.1038/ncomms15202" + ] + }, + "databaseIds": { + "rhea": "20720", + "ec": "2.3.1.164" + } + } + ] +} \ No newline at end of file