Contributor submission SneP

mite_data/data/MITE9999999.json

@@ -0,0 +1,67 @@
+{
+    "accession": "MITE9999999",
+    "status": "active",
+    "comment": "SneP forms two biaryl cross-links (C-C and ether) on the core peptide sequence of YSYY",
+    "changelog": [
+        {
+            "version": "1",
+            "date": "2026-07-24",
+            "contributors": [
+                "0009-0008-8086-5325"
+            ],
+            "reviewers": [
+                "0009-0008-6482-7206",
+                "0000-0001-6534-6609"
+            ],
+            "comment": "New entry. Reviewer 1 added missing tailoring reaction terms."
+        }
+    ],
+    "enzyme": {
+        "name": "SneP",
+        "description": "Cytochrome P450",
+        "references": [
+            "doi:10.1021/jacs.3c07416"
+        ],
+        "databaseIds": {
+            "uniprot": "UPI00160C074B",
+            "genpept": "WXH40812.1"
+        },
+        "cofactors": {
+            "organic": [
+                "Heme"
+            ],
+            "inorganic": [
+                "Fe"
+            ]
+        }
+    },
+    "reactions": [
+        {
+            "tailoring": [
+                "Biaryl bond formation",
+                "Cyclization",
+                "Oxidation"
+            ],
+            "description": "SneP catalyzes C\u2013C and an ether linkage on the YSYY motif",
+            "reactionSMARTS": "[#6:1]-[#6:2]-[#6:3](-[#6:5](-[#6:15](-[#7:17]-[#6:18](-[#6:23](-[#7:25]-[#6:26](-[#6:200](-[#8:202])-[#6:201])-[#6:27](-[#7:29]-[#6:30]-[#6:31](-[#7:33]-[#6:34](-[#6:36](-[#7:38]-[#6:39](-[#6:44](-[#7:46]-[#6:47](-[#6:55](-[#7:57]-[#6:58](-[#6:60](-[#7:62]-[#6:63](-[#6:71](-[#7:73]-[#6:74](-[#6:79](-[#7:81]-[#6:82](-[#6:197](-[#8:199])-[#6:198])-[#6:83](-[#7:85]-[#6:86](-[#6:94](-[#7:96]-[#6:97](-[#6:103](-[#7:105]-[#6:106](-[#6:111](-[#7:113]-[#6:114](-[#6:122](-[#7:124]-[#6:125](-[#6:130](-[#7:132]-[#6:133](-[#6:194](-[#8:196])-[#6:195])-[#6:134](-[#7:136]-[#6:137](-[#6:142](-[#7:144]1-[#6:148](-[#6:149](-[#7:151]-[#6:152](-[#6:161](-[#7:163]-[#6:164](-[#6:167](-[#7:169]-[#6:170](-[#6:179](-[#7:181]-[#6:182](-[#6:191](-[#8:193])=[#8:192])-[#6:183]-[#6:184]2:[#6:190]:[#6:189]:[#6:187](-[#8:188]):[#6:186]:[#6:185]:2)=[#8:180])-[#6:171]-[#6:172]2:[#6:178]:[#6:177]:[#6:175](-[#8:176]):[#6:174]:[#6:173]:2)=[#8:168])-[#6:165]-[#8:166])=[#8:162])-[#6:153]-[#6:154]2:[#6:160]:[#6:159]:[#6:157](-[#8:158]):[#6:156]:[#6:155]:2)=[#8:150])-[#6:147]-[#6:146]-[#6:145]-1)=[#8:143])-[#6:138]-[#6:139](-[#6:141])-[#6:140])=[#8:135])=[#8:131])-[#6:126]-[#6:127](-[#6:129])-[#6:128])=[#8:123])-[#6:115]-[#6:116]-[#6:117]-[#7:118]-[#6:119](-[#7:121])=[#7:120])=[#8:112])-[#6:107]-[#6:108](-[#8:110])=[#8:109])=[#8:104])-[#6:98]-[#6:99]-[#6:100]-[#6:101]-[#7:102])=[#8:95])-[#6:87]-[#6:88]-[#6:89]-[#7:90]-[#6:91](-[#7:93])=[#7:92])=[#8:84])=[#8:80])-[#6:75]-[#6:76](-[#6:78])-[#6:77])=[#8:72])-[#6:64]-[#6:65]-[#6:66]-[#7:67]-[#6:68](-[#7:70])=[#7:69])=[#8:61])-[#6:59])=[#8:56])-[#6:48]-[#6:49]1:[#6:54]:[#6:53]:[#6:52]:[#6:51]:[#6:50]:1)=[#8:45])-[#6:40]-[#6:41](-[#6:43])-[#6:42])=[#8:37])-[#6:35])=[#8:32])=[#8:28])=[#8:24])-[#6:19]-[#6:20](-[#6:22])-[#6:21])=[#8:16])-[#7:6]-[#6:7](-[#6:9](-[#6:11]-[#6:12]-[#16:13]-[#6:14])-[#7:10])=[#8:8])-[#6:4]>>[#6:1]-[#6:2]-[#6:3](-[#6:5](-[#6:15](-[#7:17]-[#6:18](-[#6:23](-[#7:25]-[#6:26](-[#6:200](-[#8:202])-[#6:201])-[#6:27](-[#7:29]-[#6:30]-[#6:31](-[#7:33]-[#6:34](-[#6:36](-[#7:38]-[#6:39](-[#6:44](-[#7:46]-[#6:47](-[#6:55](-[#7:57]-[#6:58](-[#6:60](-[#7:62]-[#6:63](-[#6:71](-[#7:73]-[#6:74](-[#6:79](-[#7:81]-[#6:82](-[#6:197](-[#8:199])-[#6:198])-[#6:83](-[#7:85]-[#6:86](-[#6:94](-[#7:96]-[#6:97](-[#6:103](-[#7:105]-[#6:106](-[#6:111](-[#7:113]-[#6:114](-[#6:122](-[#7:124]-[#6:125](-[#6:130](-[#7:132]-[#6:133](-[#6:194](-[#8:196])-[#6:195])-[#6:134](-[#7:136]-[#6:137](-[#6:142](-[#7:144]1-[#6:148](-[#6:149](-[#7:151]-[#6:152]2-[#6:161](=[#8:162])-[#7:163]-[#6:164](-[#6:165]-[#8:166])-[#6:167](=[#8:168])-[#7:169]-[#6:170]3-[#6:171]-[#6:172]4:[#6:178]:[#6:177](-[#6:186]5:[#6:187](-[#8:188]):[#6:189]:[#6:190]:[#6:184](-[#6:183]-[#6:182](-[#7:181]-[#6:179]-3=[#8:180])-[#6:191](-[#8:193])=[#8:192]):[#6:185]:5):[#6:175](-[#8:176]):[#6:174](:[#6:173]:4)-[#8:158]-[#6:157]3:[#6:156]:[#6:155]:[#6:154](:[#6:160]:[#6:159]:3)-[#6:153]-2)=[#8:150])-[#6:147]-[#6:146]-[#6:145]-1)=[#8:143])-[#6:138]-[#6:139](-[#6:141])-[#6:140])=[#8:135])=[#8:131])-[#6:126]-[#6:127](-[#6:129])-[#6:128])=[#8:123])-[#6:115]-[#6:116]-[#6:117]-[#7:118]-[#6:119](-[#7:121])=[#7:120])=[#8:112])-[#6:107]-[#6:108](-[#8:110])=[#8:109])=[#8:104])-[#6:98]-[#6:99]-[#6:100]-[#6:101]-[#7:102])=[#8:95])-[#6:87]-[#6:88]-[#6:89]-[#7:90]-[#6:91](-[#7:93])=[#7:92])=[#8:84])=[#8:80])-[#6:75]-[#6:76](-[#6:77])-[#6:78])=[#8:72])-[#6:64]-[#6:65]-[#6:66]-[#7:67]-[#6:68](-[#7:70])=[#7:69])=[#8:61])-[#6:59])=[#8:56])-[#6:48]-[#6:49]1:[#6:50]:[#6:51]:[#6:52]:[#6:53]:[#6:54]:1)=[#8:45])-[#6:40]-[#6:41](-[#6:42])-[#6:43])=[#8:37])-[#6:35])=[#8:32])=[#8:28])=[#8:24])-[#6:19]-[#6:20](-[#6:21])-[#6:22])=[#8:16])-[#7:6]-[#6:7](-[#6:9](-[#6:11]-[#6:12]-[#16:13]-[#6:14])-[#7:10])=[#8:8])-[#6:4]",
+            "reactions": [
+                {
+                    "substrate": "CCC(C)C(NC(=O)C(N)CCSC)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NCC(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(C)O)C(C)O)C(C)O",
+                    "products": [
+                        "CCC(C)C(NC(=O)C(N)CCSC)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NCC(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC1Cc2ccc(cc2)Oc2cc3cc(c2O)-c2cc(ccc2O)CC(C(=O)O)NC(=O)C(C3)NC(=O)C(CO)NC1=O)C(C)O)C(C)O)C(C)O"
+                    ],
+                    "isIntermediate": true,
+                    "description": "SneP catalyzes biaryl C-C and biaryl ether cross-link on the precursor peptide SneA, before the release of mature crosslinked peptide YSYY. SneA: MILTGALFARLTRKDRLTLPYSYY"
+                }
+            ],
+            "evidence": {
+                "evidenceCode": [
+                    "Heterologous expression"
+                ],
+                "references": [
+                    "doi:10.1021/jacs.3c07416"
+                ]
+            }
+        }
+    ]
+}