diff --git a/mite_data/data/MITE0000351.json b/mite_data/data/MITE0000351.json new file mode 100644 index 00000000..00fddf32 --- /dev/null +++ b/mite_data/data/MITE0000351.json @@ -0,0 +1,89 @@ +{ + "accession": "MITE0000351", + "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 and corrected the name of the first intermediate product of AndK." + } + ], + "enzyme": { + "name": "AndK", + "description": "Cytochrome P450", + "references": [ + "doi:10.1021/ja508127q" + ], + "databaseIds": { + "uniprot": "A0A097ZPE4", + "genpept": "BAP81865.1", + "mibig": "BGC0002612" + }, + "cofactors": { + "organic": [ + "Heme" + ], + "inorganic": [ + "Fe" + ] + } + }, + "reactions": [ + { + "tailoring": [ + "Hydroxylation" + ], + "description": "Hydroxylation as the first step in the anditomin biosynthetic pathway.", + "reactionSMARTS": "[#6]1(-[#6](=[#8])-[#8]):[#6](-[#6]):[#6](-[#6]):[#6](-[#8]):[#6](-[#6]):[#6]:1-[#8]>>[#6]1(-[#6](=[#8])-[#8]):[#6](-[#6]-[#8]):[#6](-[#6]):[#6](-[#8]):[#6](-[#6]):[#6]:1-[#8]", + "reactions": [ + { + "substrate": "Cc1c(C)c(C(=O)O)c(O)c(C)c1O", + "products": [ + "Cc1c(O)c(C)c(CO)c(C(=O)O)c1O" + ], + "isIntermediate": true, + "description": "Convertion of 3,5-dimethylorsellinic acid to 4,6-dihydroxy-2-(hydroxymethyl)-3-methylbenzoic acid." + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression" + ], + "references": [ + "doi:10.1021/ja508127q" + ] + } + }, + { + "tailoring": [ + "Cyclization" + ], + "description": "Cyclization as second step in the anditomin biosynthetic pathway.", + "reactionSMARTS": "[#6]1(-[#6](=[#8])-[#8]):[#6](-[#6]-[#8]):[#6](-[#6]):[#6](-[#8]):[#6](-[#6]):[#6]:1-[#8]>>[#6]12-[#6](-[#8]-[#6]-[#6]:1:[#6](-[#6]):[#6](-[#8]):[#6](-[#6]):[#6]:2-[#8])=[#8]", + "reactions": [ + { + "substrate": "Cc1c(O)c(C)c(CO)c(C(=O)O)c1O", + "products": [ + "Cc1c(O)c(C)c2c(c1O)C(=O)OC2" + ], + "isIntermediate": true, + "description": "Convertion of 4,6-dihydroxy-2-(hydroxymethyl)-3-methylbenzoic acid to 5,7-dihydroxy-4,6-dimethylphtalide." + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression" + ], + "references": [ + "doi:10.1021/ja508127q" + ] + } + } + ] +}