diff --git a/mite_data/data/MITE0000357.json b/mite_data/data/MITE0000357.json new file mode 100644 index 00000000..3153509d --- /dev/null +++ b/mite_data/data/MITE0000357.json @@ -0,0 +1,62 @@ +{ + "accession": "MITE0000357", + "status": "active", + "changelog": [ + { + "version": "1", + "date": "2026-05-17", + "contributors": [ + "0000-0002-0771-9611" + ], + "reviewers": [ + "0000-0001-6534-6609" + ], + "comment": "New entry. Reviewer 1 expanded reaction descriptions." + } + ], + "enzyme": { + "name": "AndJ", + "description": "FAD-dependent Baeyer-Villiger monooxygenase", + "references": [ + "doi:10.1021/ja508127q" + ], + "databaseIds": { + "uniprot": "A0A097ZPG2", + "genpept": "BAP81864.1", + "mibig": "BGC0002612" + }, + "cofactors": { + "organic": [ + "FAD" + ] + } + }, + "reactions": [ + { + "tailoring": [ + "Oxidation", + "Ring expansion" + ], + "description": "Baeyer-Villiger oxidation of meroterpenoid intermediate in the anditomin biosynthetic pathway.", + "reactionSMARTS": "[#6@@]123/[#6]/[#6@@]4(-[#6])-[#6](=[#8])-[#6@@]5\\[#6](=[#8])-[#8]-[#6]\\[#6@@]-1-5-[#6@](\\[#6])(-[#6]-4=[#8])-[#6]-[#6]-2-[#6@]1(/[#6])-[#6](-[#6@@](-[#6](-[#6]=[#6]-1)=[#8])(\\[#6])/[#6])-[#6]-[#6]-3>>[#6@@]123/[#6]/[#6@@]4(-[#6])-[#6](=[#8])-[#6@@]5\\[#6](=[#8])-[#8]-[#6]\\[#6@@]-1-5-[#6@](\\[#6])(-[#6]-4=[#8])-[#6]-[#6]-2-[#6@]1(/[#6])-[#6](-[#6@@](-[#8]-[#6](=[#8])-[#6]=[#6]-1)(\\[#6])/[#6])-[#6]-[#6]-3", + "reactions": [ + { + "substrate": "CC1(C)C(=O)C=C[C@@]2(C)C1CC[C@@]13C[C@@]4(C)C(=O)[C@H]5C(=O)OC[C@]51[C@@](C)(CC23)C4=O", + "products": [ + "CC1(C)OC(=O)C=C[C@@]2(C)C1CC[C@@]13C[C@@]4(C)C(=O)[C@H]5C(=O)OC[C@]51[C@@](C)(CC23)C4=O" + ], + "isIntermediate": true, + "description": "Conversion of andiconin to andilesin D by introduction of a lacton ring.." + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression" + ], + "references": [ + "doi:10.1021/ja508127q" + ] + } + } + ] +}