diff --git a/mite_data/data/2bc73f10-85f9-11f1-8cab-df74baa3faa7.json b/mite_data/data/2bc73f10-85f9-11f1-8cab-df74baa3faa7.json new file mode 100644 index 00000000..50def244 --- /dev/null +++ b/mite_data/data/2bc73f10-85f9-11f1-8cab-df74baa3faa7.json @@ -0,0 +1,119 @@ +{ + "accession": "MITE9999999", + "status": "pending", + "comment": "L-tryptophan methyltransferase", + "changelog": [ + { + "version": "1", + "date": "2026-07-22", + "contributors": [ + "0009-0008-8086-5325" + ], + "reviewers": [ + "BBBBBBBBBBBBBBBBBBBBBBBB" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "TrpM", + "description": "Methyltransferase", + "references": [ + "doi:10.1002/cbic.201800336", + "doi:10.1002/btpr.3492" + ], + "databaseIds": { + "uniprot": "A0A346RP51", + "genpept": "AXS67848.1" + }, + "cofactors": { + "organic": [ + "SAM" + ] + } + }, + "reactions": [ + { + "tailoring": [ + "Methylation" + ], + "description": "TrpM catalyzes N-methylation of L-tryptophan to produce L-abrine (N-alpha-methyl-L-tryptophan)", + "reactionSMARTS": "[#7:1]-[#6:2](-[#6:13](-[#8:15])=[#8:14])-[#6:3]-[#6:4]1:[#6:8]2:[#6:9]:[#6:10]:[#6:11]:[#6:12]:[#6:7]:2:[#7:6]:[#6:5]:1>>[#6:2](-[#7:1]-[#6])(-[#6:13](-[#8:15])=[#8:14])-[#6:3]-[#6:4]1:[#6:8]2:[#6:9]:[#6:10]:[#6:11]:[#6:12]:[#6:7]:2:[#7:6]:[#6:5]:1", + "reactions": [ + { + "substrate": "NC(Cc1c[nH]c2ccccc12)C(=O)O", + "products": [ + "CNC(Cc1c[nH]c2ccccc12)C(=O)O" + ], + "isIntermediate": true, + "description": "TrpM methyltransferase catalyzes iterative N-methylations to produce L-abrine (N-alpha-methyl-L-tryptophan), N,N-alpha-dimethyl-L-tryptophan and L-hypaphorine (N,N,N-alpha-trimethyl-L-tryptophan). TrpM can also N-methylate the non-native amino acid substrate, 4-hydroxytryptophan." + } + ], + "evidence": { + "evidenceCode": [ + "In vitro assay" + ], + "references": [ + "doi:10.1002/cbic.201800336" + ] + }, + "databaseIds": { + "rhea": "80771" + } + }, + { + "tailoring": [ + "Methylation" + ], + "description": "TrpM catalyzes N-methylation of L-abrine (N-alpha-methyl-L-tryptophan) to form N,N-alpha-dimethyl-L-tryptophan", + "reactionSMARTS": "[#6:1]-[#7:2]-[#6:3](-[#6:14](-[#8:16])=[#8:15])-[#6:4]-[#6:5]1:[#6:13]2:[#6:8](:[#6:9]:[#6:10]:[#6:11]:[#6:12]:2):[#7:7]:[#6:6]:1>>[#6:1]-[#7:2](-[#6])-[#6:3](-[#6:14](-[#8:16])=[#8:15])-[#6:4]-[#6:5]1:[#6:13]2:[#6:8](:[#6:9]:[#6:10]:[#6:11]:[#6:12]:2):[#7:7]:[#6:6]:1", + "reactions": [ + { + "substrate": "CNC(Cc1c[nH]c2ccccc12)C(=O)O", + "products": [ + "CN(C)C(Cc1c[nH]c2ccccc12)C(=O)O" + ], + "isIntermediate": true + } + ], + "evidence": { + "evidenceCode": [ + "In vitro assay" + ], + "references": [ + "doi:10.1002/cbic.201800336" + ] + }, + "databaseIds": { + "rhea": "80847" + } + }, + { + "tailoring": [ + "Methylation" + ], + "description": "TrpM catalyzes N-methylation of N,N-alpha-dimethyl-L-tryptophan to yield L-hypaphorine (N,N,N-alpha-trimethyl-L-tryptophan)", + "reactionSMARTS": "[#6]-[#7](-[#6:4](-[#6:8]-[#6:9]1:[#6:17]:[#7:16]:[#6:11]2:[#6:12]:[#6:13]:[#6:14]:[#6:15]:[#6:10]:1:2)-[#6:5](=[#8:7])-[#8:6])-[#6]>>[#6]-[#7;+](-[#6])(-[#6:4](-[#6:8]-[#6:9]1:[#6:17]:[#7:16]:[#6:11]2:[#6:12]:[#6:13]:[#6:14]:[#6:15]:[#6:10]:1:2)-[#6:5](=[#8:7])-[#8:6])-[#6]", + "reactions": [ + { + "substrate": "CN(C)C(Cc1c[nH]c2ccccc12)C(=O)O", + "products": [ + "C[N+](C)(C)C(Cc1c[nH]c2ccccc12)C(=O)O" + ], + "isIntermediate": false + } + ], + "evidence": { + "evidenceCode": [ + "In vitro assay" + ], + "references": [ + "doi:10.1002/cbic.201800336" + ] + }, + "databaseIds": { + "rhea": "80851" + } + } + ] +} \ No newline at end of file