diff --git a/mite_data/data/MITE0000360.json b/mite_data/data/MITE0000360.json new file mode 100644 index 00000000..c1bb7e7c --- /dev/null +++ b/mite_data/data/MITE0000360.json @@ -0,0 +1,57 @@ +{ + "accession": "MITE0000360", + "status": "active", + "comment": "Andilesin B originates from the spontaneous elimination of acetate from Acetylandilesin A (produced by AndG). AndH reduces Andilesin B to produce Andilesin C.", + "changelog": [ + { + "version": "1", + "date": "2026-05-17", + "contributors": [ + "0000-0002-0771-9611" + ], + "reviewers": [ + "0000-0001-6534-6609" + ], + "comment": "New entry. Reviewer 1 improved reaction descriptions." + } + ], + "enzyme": { + "name": "AndH", + "description": "Short-chain dehydrogenase/reductase", + "references": [ + "doi:10.1021/ja508127q" + ], + "databaseIds": { + "uniprot": "A0A097ZPD4", + "genpept": "BAP81862.1", + "mibig": "BGC0002612" + } + }, + "reactions": [ + { + "tailoring": [ + "Reduction" + ], + "description": "Reduction of meroterpenoid intermediate andilesin B in the andilesin biosynthetic pathway.", + "reactionSMARTS": "[#6@@]123/[#6]/[#6@@]4(-[#6])-[#6]=[#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>>[#6@@]123/[#6]/[#6@@]4(-[#6])-[#6]-[#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)OC(=O)C=C[C@@]2(C)C1CC[C@@]13C[C@@]4(C)C=C5C(=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[C@H]5C(=O)OC[C@]51[C@@](C)(CC23)C4=O" + ], + "isIntermediate": true, + "description": "Conversion of andilesin B to andilesin C." + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression" + ], + "references": [ + "doi:10.1021/ja508127q" + ] + } + } + ] +}