diff --git a/mite_data/data/b6c1ab9e-5144-11f1-9ef6-bb4e59819b6d.json b/mite_data/data/b6c1ab9e-5144-11f1-9ef6-bb4e59819b6d.json new file mode 100644 index 00000000..fefbc8f0 --- /dev/null +++ b/mite_data/data/b6c1ab9e-5144-11f1-9ef6-bb4e59819b6d.json @@ -0,0 +1,60 @@ +{ + "accession": "MITE9999999", + "status": "pending", + "changelog": [ + { + "version": "1", + "date": "2026-05-16", + "contributors": [ + "0000-0002-0771-9611" + ], + "reviewers": [ + "BBBBBBBBBBBBBBBBBBBBBBBB" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "AscD", + "description": "Flavin-dependent halogenase", + "references": [ + "doi:10.1073/pnas.1819254116" + ], + "databaseIds": { + "uniprot": "A0A455R7M0", + "genpept": "BBF25316.1", + "mibig": "BGC0001923" + }, + "cofactors": { + "organic": [ + "FAD" + ] + } + }, + "reactions": [ + { + "tailoring": [ + "Halogenation" + ], + "description": "Halogenation of ilicicolin B to give ilicicolin A.", + "reactionSMARTS": "[#6]-[#6](=[#6]-[#6]-[#6]-[#6](=[#6]-[#6]-[#6]-[#6](=[#6]-[#6]-[#6]1:[#6](-[#8]):[#6](-[#6]=[#8]):[#6](-[#6]):[#6]:[#6]:1-[#8])-[#6])-[#6])-[#6]>>[#6]-[#6](=[#6]-[#6]-[#6]-[#6](=[#6]-[#6]-[#6]-[#6](=[#6]-[#6]-[#6]1:[#6](-[#8]):[#6](-[#6]=[#8]):[#6](-[#6]):[#6](-[Cl]):[#6]:1-[#8])-[#6])-[#6])-[#6]", + "reactions": [ + { + "substrate": "CC(C)=CCCC(C)=CCCC(C)=CCc1c(O)cc(C)c(C=O)c1O", + "products": [ + "CC(C)=CCCC(C)=CCCC(C)=CCc1c(O)c(Cl)c(C)c(C=O)c1O" + ], + "isIntermediate": true + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression" + ], + "references": [ + "doi:10.1073/pnas.1819254116" + ] + } + } + ] +} \ No newline at end of file