diff --git a/mite_data/data/MITE9999999.json b/mite_data/data/MITE9999999.json new file mode 100644 index 00000000..7f3dfb84 --- /dev/null +++ b/mite_data/data/MITE9999999.json @@ -0,0 +1,70 @@ +{ + "accession": "MITE9999999", + "status": "active", + "changelog": [ + { + "version": "1", + "date": "2026-05-16", + "contributors": [ + "0000-0002-0771-9611" + ], + "reviewers": [ + "0000-0001-6534-6609" + ], + "comment": "New entry. Reviewer 1 improved reaction description, added cofactors and rhea ID + EC number." + } + ], + "enzyme": { + "name": "AscG", + "description": "Cytochrome P450", + "references": [ + "doi:10.1073/pnas.1819254116" + ], + "databaseIds": { + "uniprot": "A0A455R4X0", + "genpept": "BBF25319.1", + "mibig": "BGC0001923" + }, + "cofactors": { + "organic": [ + "Heme", + "NADP" + ], + "inorganic": [ + "Fe" + ] + } + }, + "reactions": [ + { + "tailoring": [ + "Oxidation" + ], + "description": "Oxidation of meroterpenoid precursor in the ascochlorin biosynthetic pathway, resulting in mature ascochlorin.", + "reactionSMARTS": "[#6](-[#6]-[#6]-[#6@@]1(\\[#6])-[#6@](\\[#6])-[#6]-[#6]-[#6](=[#8])-[#6@@]-1\\[#6])(=[#6]-[#6]-[#6]1:[#6](-[#8]):[#6](-[#6]=[#8]):[#6](-[#6]):[#6](-[Cl]):[#6]:1-[#8])-[#6]>>[#6](-[#6]=[#6]-[#6@@]1(\\[#6])-[#6@](\\[#6])-[#6]-[#6]-[#6](=[#8])-[#6@@]-1\\[#6])(=[#6]-[#6]-[#6]1:[#6](-[#8]):[#6](-[#6]=[#8]):[#6](-[#6]):[#6](-[Cl]):[#6]:1-[#8])-[#6]", + "reactions": [ + { + "substrate": "C/C(=C\\Cc1c(O)c(Cl)c(C)c(C=O)c1O)CC[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C", + "products": [ + "CC(C=C[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)=CCc1c(O)c(Cl)c(C)c(C=O)c1O" + ], + "isIntermediate": false, + "description": "Conversion of alicicolin C to ascochlorin." + } + ], + "evidence": { + "evidenceCode": [ + "In vitro assay", + "Knock-out studies" + ], + "references": [ + "doi:10.1073/pnas.1819254116" + ] + }, + "databaseIds": { + "rhea": "63100", + "ec": "1.14.14" + } + } + ] +} \ No newline at end of file