diff --git a/mite_data/data/MITE9999999.json b/mite_data/data/MITE9999999.json new file mode 100644 index 00000000..7ea436e7 --- /dev/null +++ b/mite_data/data/MITE9999999.json @@ -0,0 +1,57 @@ +{ + "accession": "MITE9999999", + "status": "active", + "comment": "Luz27 is a membrane-bound acyltransferase that mediates the subsequent O-acetylation extracellularly", + "changelog": [ + { + "version": "1", + "date": "2026-06-09", + "contributors": [ + "0009-0008-8086-5325" + ], + "reviewers": [ + "0000-0001-5701-0590" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "Luz27", + "description": "acyltransferase", + "references": [ + "doi:10.1002/anie.202105312" + ], + "databaseIds": { + "uniprot": "UPI001F57AB4F", + "genpept": "MCK2216162.1" + } + }, + "reactions": [ + { + "tailoring": [ + "Acetylation" + ], + "description": "Luz27 performs stepwise O-acetylations on the 4-OH groups of 4-OH-Thp residues to afford a final product, luzopeptin A", + "reactionSMARTS": "[#6:1]1(-[#6:87]-[#6:86]=[#7:85]-[#7:84]2-[#6:3]-1-[#6:4](=[#8:96])-[#7:5]-[#6:6]-[#6:7](=[#8:95])-[#7:8](-[#6:10]-[#6:11](=[#8:94])-[#7:12](-[#6:14](-[#6:19](=[#8:93])-[#8:20]-[#6:21]-[#6:22](-[#6:39](=[#8:92])-[#7:40]1-[#6:46](-[#6:47](=[#8:91])-[#7:48]-[#6:49]-[#6:50](=[#8:90])-[#7:51](-[#6:53]-[#6:54](=[#8:89])-[#7:55](-[#6:57](-[#6:62](=[#8:88])-[#8:63]-[#6:64]-[#6:65](-[#6:82]-2=[#8:83])-[#7:66]-[#6:67](=[#8:81])-[#6:68]2:[#6:79](-[#8:80]):[#6:78]:[#6:71]3:[#6:72]:[#6:73](:[#6:76]:[#6:77]:[#6:70]:3:[#7:69]:2)-[#8:74]-[#6:75])-[#6:58](-[#8:61])(-[#6:60])-[#6:59])-[#6:56])-[#6:52])-[#6:44](-[#8:45])-[#6:43]-[#6:42]=[#7:41]-1)-[#7:23]-[#6:24](=[#8:38])-[#6:25]1:[#6:36](-[#8:37]):[#6:35]:[#6:28]2:[#6:29]:[#6:30](:[#6:33]:[#6:34]:[#6:27]:2:[#7:26]:1)-[#8:31]-[#6:32])-[#6:15](-[#8:18])(-[#6:17])-[#6:16])-[#6:13])-[#6:9])-[#8:2]>>[#6:1]1(-[#6:87]-[#6:86]=[#7:85]-[#7:84]2-[#6:3]-1-[#6:4](=[#8:96])-[#7:5]-[#6:6]-[#6:7](=[#8:95])-[#7:8](-[#6:10]-[#6:11](=[#8:94])-[#7:12](-[#6:14](-[#6:19](=[#8:93])-[#8:20]-[#6:21]-[#6:22](-[#6:39](=[#8:92])-[#7:40]1-[#6:46](-[#6:47](=[#8:91])-[#7:48]-[#6:49]-[#6:50](=[#8:90])-[#7:51](-[#6:53]-[#6:54](=[#8:89])-[#7:55](-[#6:57](-[#6:62](=[#8:88])-[#8:63]-[#6:64]-[#6:65](-[#6:82]-2=[#8:83])-[#7:66]-[#6:67](=[#8:81])-[#6:68]2:[#6:79](-[#8:80]):[#6:78]:[#6:71]3:[#6:72]:[#6:73](:[#6:76]:[#6:77]:[#6:70]:3:[#7:69]:2)-[#8:74]-[#6:75])-[#6:58](-[#8:61])(-[#6:60])-[#6:59])-[#6:56])-[#6:52])-[#6:44](-[#8:45]-[#6:24](=[#8:38])-[#6:25])-[#6:43]-[#6:42]=[#7:41]-1)-[#7:23]-[#6:24](=[#8:38])-[#6:25]1:[#6:36](-[#8:37]):[#6:35]:[#6:28]2:[#6:29]:[#6:30](:[#6:33]:[#6:34]:[#6:27]:2:[#7:26]:1)-[#8:31]-[#6:32])-[#6:15](-[#8:18])(-[#6:17])-[#6:16])-[#6:13])-[#6:9])-[#8:2]-[#6:67](=[#8:81])-[#6:68]", + "reactions": [ + { + "substrate": "COc1ccc2nc(C(=O)NC3COC(=O)C(C(C)(C)O)N(C)C(=O)CN(C)C(=O)CNC(=O)C4C(O)CC=NN4C(=O)C(NC(=O)c4nc5ccc(OC)cc5cc4O)COC(=O)C(C(C)(C)O)N(C)C(=O)CN(C)C(=O)CNC(=O)C4C(O)CC=NN4C3=O)c(O)cc2c1", + "products": [ + "COc1ccc2nc(C(=O)NC3COC(=O)C(C(C)(C)O)N(C)C(=O)CN(C)C(=O)CNC(=O)C4C(OC(C)=O)CC=NN4C(=O)C(NC(=O)c4nc5ccc(OC)cc5cc4O)COC(=O)C(C(C)(C)O)N(C)C(=O)CN(C)C(=O)CNC(=O)C4C(OC(C)=O)CC=NN4C3=O)c(O)cc2c1" + ], + "isIntermediate": false, + "description": "Luz27, a membrane-bound acyltransferase performs stepwise O-acetylations at the 4-OH groups in di-deacetylated derivative luzopeptin C to afford luzopeptin A, using acetyl-CoA as the acetyl donor" + } + ], + "evidence": { + "evidenceCode": [ + "In vitro assay", + "Knock-out studies" + ], + "references": [ + "doi:10.1002/anie.202105312" + ] + } + } + ] +} \ No newline at end of file