diff --git a/mite_data/data/MITE9999999.json b/mite_data/data/MITE9999999.json new file mode 100644 index 00000000..3d7c1493 --- /dev/null +++ b/mite_data/data/MITE9999999.json @@ -0,0 +1,61 @@ +{ + "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 fixed reaction SMARTS and product, added RHEA ID and EC number, improved reaction descriptions." + } + ], + "enzyme": { + "name": "AscI", + "description": "Terpene cyclase", + "references": [ + "doi:10.1073/pnas.1819254116" + ], + "databaseIds": { + "uniprot": "A0A455R4Z0", + "genpept": "BBF25321.1", + "mibig": "BGC0001924" + } + }, + "reactions": [ + { + "tailoring": [ + "Cyclization" + ], + "description": "Cyclization of meroterpenoid intermediate in the ascofuranone biosynthetic pathway.", + "reactionSMARTS": "[#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]>>[#6]1(-[#8]):[#6](-[#6]-[#6]=[#6](-[#6])-[#6]-[#6]-[#6]=[#6](-[#6]2-[#8]-[#6](-[#6])(-[#6])-[#6@@](/[#8])-[#6]-2)-[#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)[C@@H](O)C[C@@H]1OC1(C)C", + "products": [ + "CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)CCC=C(C)C1C[C@H](O)C(C)(C)O1" + ], + "isIntermediate": true, + "description": "Converts 16-hydroxy-ilicicolin A epoxide to ascofuranol by cyclisation to form a tetrahydrofuran ring." + } + ], + "evidence": { + "evidenceCode": [ + "In vitro assay", + "Knock-out studies" + ], + "references": [ + "doi:10.1073/pnas.1819254116" + ] + }, + "databaseIds": { + "rhea": "63108", + "ec": "5.4.99" + } + } + ] +} \ No newline at end of file