Contributor submission NosC

mite_data/data/bccdba72-e683-11f0-abdb-8218ec668ab3.json

@@ -0,0 +1,66 @@
+{
+    "accession": "MITE9999999",
+    "status": "pending",
+    "comment": "Part of the NosABC hydroxylation cascade, leading to mature nosiheptide.",
+    "changelog": [
+        {
+            "version": "1",
+            "date": "2025-12-31",
+            "contributors": [
+                "AAAAAAAAAAAAAAAAAAAAAAAA"
+            ],
+            "reviewers": [
+                "BBBBBBBBBBBBBBBBBBBBBBBB"
+            ],
+            "comment": "New entry."
+        }
+    ],
+    "enzyme": {
+        "name": "NosC",
+        "description": "Cytochrome P450",
+        "references": [
+            "doi:10.1002/cbic.201300427"
+        ],
+        "databaseIds": {
+            "uniprot": "C6FX42",
+            "genpept": "ACR48332.1",
+            "mibig": "BGC0000610"
+        },
+        "cofactors": {
+            "organic": [
+                "Heme"
+            ],
+            "inorganic": [
+                "Fe"
+            ]
+        }
+    },
+    "reactions": [
+        {
+            "tailoring": [
+                "Hydroxylation"
+            ],
+            "description": "Hydroxylates the pyridin moiety of the nascent nosiheptide intermediate",
+            "reactionSMARTS": "[#6:1]=[#6:2](-[#6:85](-[#8:87])=[#8:86])-[#7:3]-[#6:4](-[#6:6](-[#7:8]-[#6:9](-[#6:11]1:[#7:84]:[#6:14](-[#6:15]2:[#7:17]:[#6:18]3-[#6:20]4:[#7:83]:[#6:23](-[#6:24]5-[#7:82]-[#6:80](=[#8:81])-[#6:77]6:[#6:78]:[#16:79]:[#6:75](:[#7:76]:6)-[#6:45](-[#7:46]-[#6:47](-[#6:49]6:[#7:74]:[#6:52](-[#6:53](-[#7:56]-[#6:57](-[#6:59](-[#6:71](-[#8:73])-[#6:72])-[#7:60]-[#6:61](-[#6:63]7:[#7:70]:[#6:66](-[#6:67]:3:[#6:68]:[#6:16]:2):[#16:65]:[#6:64]:7)=[#8:62])=[#8:58])=[#6:54]-[#6:55]):[#16:51]:[#6:50]:6)=[#8:48])-[#6:44]-[#6:43]-[#6:41](=[#8:42])-[#8:40]-[#6:39]-[#6:35]2:[#6:36]3:[#6:37](-[#6:38]):[#6:29](:[n&H1:30]:[#6:31]:3:[#6:32]:[#6:33]:[#6:34]:2)-[#6:27](=[#8:28])-[#16:26]-[#6:25]-5):[#16:22]:[#6:21]:4):[#16:13]:[#6:12]:1)=[#8:10])=[#6:7])=[#8:5]>>[#6:1]=[#6:2](-[#6:85](-[#8:87])=[#8:86])-[#7:3]-[#6:4](-[#6:6](-[#7:8]-[#6:9](-[#6:11]1:[#7:84]:[#6:14](-[#6:15]2:[#7:17]:[#6:18]3-[#6:20]4:[#7:83]:[#6:23](-[#6:24]5-[#7:82]-[#6:80](=[#8:81])-[#6:77]6:[#6:78]:[#16:79]:[#6:75](:[#7:76]:6)-[#6:45](-[#7:46]-[#6:47](-[#6:49]6:[#7:74]:[#6:52](-[#6:53](-[#7:56]-[#6:57](-[#6:59](-[#6:71](-[#8:73])-[#6:72])-[#7:60]-[#6:61](-[#6:63]7:[#7:70]:[#6:66](-[#6:67]:3:[#6:68]:[#6:16]:2-[#8]):[#16:65]:[#6:64]:7)=[#8:62])=[#8:58])=[#6:54]-[#6:55]):[#16:51]:[#6:50]:6)=[#8:48])-[#6:44]-[#6:43]-[#6:41](=[#8:42])-[#8:40]-[#6:39]-[#6:35]2:[#6:36]3:[#6:37](-[#6:38]):[#6:29](:[n&H1:30]:[#6:31]:3:[#6:32]:[#6:33]:[#6:34]:2)-[#6:27](=[#8:28])-[#16:26]-[#6:25]-5):[#16:22]:[#6:21]:4):[#16:13]:[#6:12]:1)=[#8:10])=[#6:7])=[#8:5]",
+            "reactions": [
+                {
+                    "substrate": "C=C(NC(=O)C(=C)NC(=O)c1csc(-c2ccc3c(n2)-c2csc(n2)C2CSC(=O)c4[nH]c5cccc(c5c4C)COC(=O)CCC(NC(=O)c4csc(n4)C(=CC)NC(=O)C(C(C)O)NC(=O)c4csc-3n4)c3nc(cs3)C(=O)N2)n1)C(=O)O",
+                    "products": [
+                        "C=C(NC(=O)C(=C)NC(=O)c1csc(-c2nc3c(cc2O)-c2nc(cs2)C(=O)NC(C(C)O)C(=O)NC(=CC)c2nc(cs2)C(=O)NC2CCC(=O)OCc4cccc5[nH]c(c(C)c45)C(=O)SCC(NC(=O)c4csc2n4)c2nc-3cs2)n1)C(=O)O"
+                    ],
+                    "isIntermediate": true,
+                    "description": "Hydroxylation of the nosiheptide intermediate"
+                }
+            ],
+            "evidence": {
+                "evidenceCode": [
+                    "Heterologous expression",
+                    "Knock-out studies"
+                ],
+                "references": [
+                    "doi:10.1002/cbic.201300427"
+                ]
+            }
+        }
+    ]
+}