Contributor submission NgvE

mite_data/data/bd6ab458-a6b8-11f1-b4b1-cf84655b59e7.json

@@ -0,0 +1,61 @@
+{
+    "accession": "MITE9999999",
+    "status": "pending",
+    "comment": "NgvE is a homologue of AoiQ-FDH domain and can catalyze dichlorination to produce intermediate demethyldichlorodiaporthin",
+    "changelog": [
+        {
+            "version": "1",
+            "date": "2026-09-02",
+            "contributors": [
+                "0009-0008-8086-5325"
+            ],
+            "reviewers": [
+                "BBBBBBBBBBBBBBBBBBBBBBBB"
+            ],
+            "comment": "New entry."
+        }
+    ],
+    "enzyme": {
+        "name": "NgvE",
+        "description": "Flavin-dependent halogenase",
+        "references": [
+            "doi:10.1021/jacs.1c02868"
+        ],
+        "databaseIds": {
+            "uniprot": "UPI0009CB5366",
+            "genpept": "OQE91609.1"
+        },
+        "cofactors": {
+            "organic": [
+                "FAD"
+            ]
+        }
+    },
+    "reactions": [
+        {
+            "tailoring": [
+                "Halogenation"
+            ],
+            "description": "NgvE, a homologue of AoiQ-FDH domain catalyzes dichlorination of 1,3-diketone substrate",
+            "reactionSMARTS": "[#6]-[#6](-[#6:4]-[#6:5](-[#6:7]-[#6:8]1:[#8:20]:[#6:18](=[#8:19]):[#6:17]2:[#6:10](:[#6:11]:[#6:12](:[#6:14]:[#6:15]:2-[#8:16])-[#8:13]):[#6:9]:1)=[#8])=[#8]>>[#8]/[#6@:5](-[#6:4](-[Cl])-[Cl])-[#6:7]-[#6:8]1:[#8:20]:[#6:18](=[#8:19]):[#6:17]2:[#6:10](:[#6:11]:[#6:12](:[#6:14]:[#6:15]:2-[#8:16])-[#8:13]):[#6:9]:1",
+            "reactions": [
+                {
+                    "substrate": "CC(=O)CC(=O)Cc1cc2cc(O)cc(O)c2c(=O)o1",
+                    "products": [
+                        "O=c1oc(C[C@H](O)C(Cl)Cl)cc2cc(O)cc(O)c12"
+                    ],
+                    "isIntermediate": false,
+                    "description": "NgvE catalyzes dichlorination of 1,3-diketone substrate. The resulting dichlorinated intermediate undergoes nonenzymatic deacetylation, followed by C10 ketoreduction catalyzed by the SDR enzyme DiaC, or catalyzed by heterologous host endogenous ketoreductases to produce demethyldichlorodiaporthin "
+                }
+            ],
+            "evidence": {
+                "evidenceCode": [
+                    "Heterologous expression"
+                ],
+                "references": [
+                    "doi:10.1021/jacs.1c02868"
+                ]
+            }
+        }
+    ]
+}