diff --git a/mite_data/data/MITE9999999.json b/mite_data/data/MITE9999999.json new file mode 100644 index 00000000..f2b1616d --- /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." + } + ], + "enzyme": { + "name": "AscF", + "description": "Terpene cyclase", + "references": [ + "doi:10.1073/pnas.1819254116" + ], + "databaseIds": { + "uniprot": "A0A455RAK9", + "genpept": "BBF25318.1", + "mibig": "BGC0001923" + } + }, + "reactions": [ + { + "tailoring": [ + "Cyclization" + ], + "description": "Cyclization of intermediate terpenoid in the ascochlorin biosynthetic pathway.", + "reactionSMARTS": "[#6:1]-[#6:2](-[#6:17]-[#6:18]-[#6:19]=[#6:20](-[#6:22]-[#6:23]\\[#6@@:24]1-[#6:26](-[#6:28])(-[#6:27])-[#8:25]-1)-[#6:21])=[#6:3]-[#6:4]-[#6:5]1:[#6:15](-[#8:16]):[#6:12](-[#6:13]=[#8:14]):[#6:10](-[#6:11]):[#6:8](-[Cl:9]):[#6:6]:1-[#8:7]>>[#6:1]-[#6:2](-[#6:17]-[#6:18]-[#6@@:19]1(\\[#6:27])-[#6@:26](\\[#6:28])-[#6&H0:24](=[#8:25])-[#6:23]-[#6:22]-[#6@@:20]-1\\[#6:21])=[#6:3]-[#6:4]-[#6:5]1:[#6:15](-[#8:16]):[#6:12](-[#6:13]=[#8:14]):[#6:10](-[#6:11]):[#6:8](-[Cl:9]):[#6:6]:1-[#8:7]", + "reactions": [ + { + "substrate": "CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)CCC=C(C)CC[C@H]1OC1(C)C", + "products": [ + "CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)CC[C@@]1(C)[C@H](C)C(=O)CC[C@@H]1C" + ], + "isIntermediate": true, + "description": "Following protonation of the terminal epoxide of Ilicicolin A epoxide, AscF converts ilicicolin A via a monocyclic tertiarycation to ilicicolin C." + } + ], + "evidence": { + "evidenceCode": [ + "In vitro assay", + "Knock-out studies" + ], + "references": [ + "doi:10.1073/pnas.1819254116" + ] + }, + "databaseIds": { + "rhea": "63096", + "ec": "5.4.99" + } + } + ] +} \ No newline at end of file