diff --git a/mite_data/data/MITE0000361.json b/mite_data/data/MITE0000361.json new file mode 100644 index 00000000..2427e64e --- /dev/null +++ b/mite_data/data/MITE0000361.json @@ -0,0 +1,68 @@ +{ + "accession": "MITE0000361", + "status": "active", + "comment": "Nonheme iron-dependent dioxygenase", + "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": "AndF", + "description": "Dioxygenase", + "references": [ + "doi:10.1021/ja508127q" + ], + "databaseIds": { + "uniprot": "A0A097ZPD9", + "genpept": "BAP81860.1", + "mibig": "BGC0002612" + }, + "cofactors": { + "organic": [ + "Ascorbic acid", + "a-Ketoglutaric acid" + ], + "inorganic": [ + "Fe" + ] + } + }, + "reactions": [ + { + "tailoring": [ + "Dehydrogenation", + "Dioxygenation", + "Ring expansion" + ], + "description": "Oxidative rearrangement as the terminal step in the anditomin 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>>[#8]=[#6]1-[#6]=[#6]-[#6@]2(-[#6](-[#6]-[#6]-[#6@]34-[#6]-2-[#6@@]2\\[#6](-[#6@]5-3-[#6@@](\\[#6](-[#8]-[#6]\\5)=[#8])-[#6]-[#6@](-[#6]-2=[#8])(-[#6])/[#6]/4)=[#6])-[#6@](/[#6])(\\[#6])-[#8]-1)/[#6]", + "reactions": [ + { + "substrate": "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", + "products": [ + "C=C1[C@@H]2C(=O)[C@]3(C)C[C@@H]4C(=O)OC[C@]14[C@@]1(CCC4C(C)(C)OC(=O)C=C[C@]4(C)C21)C3" + ], + "isIntermediate": false, + "description": "Converts Andilesin C into the final product Anditomin." + } + ], + "evidence": { + "evidenceCode": [ + "In vitro assay" + ], + "references": [ + "doi:10.1021/ja508127q" + ] + } + } + ] +}