diff --git a/mite_data/data/8f6741a4-a3aa-11f1-a881-7d5f8d37e7b5.json b/mite_data/data/8f6741a4-a3aa-11f1-a881-7d5f8d37e7b5.json new file mode 100644 index 00000000..73f872de --- /dev/null +++ b/mite_data/data/8f6741a4-a3aa-11f1-a881-7d5f8d37e7b5.json @@ -0,0 +1,65 @@ +{ + "accession": "MITE9999999", + "status": "pending", + "comment": "AoiF is a SAM-dependent O-methyltransferase performing a tandem methylation in the biosynthesis of 8-methyldiaporthin", + "changelog": [ + { + "version": "1", + "date": "2026-08-29", + "contributors": [ + "0009-0008-8086-5325" + ], + "reviewers": [ + "BBBBBBBBBBBBBBBBBBBBBBBB" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "AoiF", + "description": "O-methyltransferase", + "references": [ + "doi:10.1002/cbic.201200107" + ], + "databaseIds": { + "uniprot": "UPI000067881C", + "genpept": "BAE65964.1", + "mibig": "BGC0002236" + }, + "cofactors": { + "organic": [ + "SAM" + ] + } + }, + "reactions": [ + { + "tailoring": [ + "Methylation" + ], + "description": "AoiF catalyzes double methyltransfer reactions to biosynthesize 8-methyldiaporthin", + "reactionSMARTS": "[#6:1]\\[#6@@:2](-[#6:4]-[#6:5]1:[#8:17]:[#6:15](=[#8:16]):[#6:14]2:[#6:7](:[#6:8]:[#6:9](:[#6:11]:[#6:12]:2-[#8:13])-[#8:10]):[#6:6]:1)-[#8:3]>>[#6]\\[#6@@](-[#6]-[#6]1:[#8]:[#6](=[#8]):[#6]2:[#6](:[#6]:[#6](:[#6]:[#6]:2-[#8])-[#8]-[#6]):[#6]:1)-[#8].[#6:1]\\[#6@@:2](-[#6:4]-[#6:5]1:[#8:17]:[#6:15](=[#8:16]):[#6:14]2:[#6:7](:[#6:8]:[#6:9](:[#6:11]:[#6:12]:2-[#8:13]-[#6])-[#8:10]-[#6]):[#6:6]:1)-[#8:3]", + "reactions": [ + { + "substrate": "C[C@H](O)Cc1cc2cc(O)cc(O)c2c(=O)o1", + "products": [ + "COc1cc(O)c2c(=O)oc(C[C@H](C)O)cc2c1", + "COc1cc(OC)c2c(=O)oc(C[C@H](C)O)cc2c1" + ], + "isIntermediate": false, + "description": "AoiF catalyzes first O-methylation in Orthosporin to produce diaporthin, followed by subsequent methylation on diaporthin to produce 8-methyldiaporthin." + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression", + "Inference from genomic data and chemical structure" + ], + "references": [ + "doi:10.1002/cbic.201200107", + "doi:10.1021/jacs.1c02868" + ] + } + } + ] +} \ No newline at end of file