Contributor submission GsfF

mite_data/data/MITE0000469.json

@@ -0,0 +1,72 @@
+{
+    "accession": "MITE0000469",
+    "status": "active",
+    "comment": "Catalyzes the intramolecular coupling reaction of griseophenone B in the griseofulvin pathway yielding desmethyl-dehydrogriseofulvin A.",
+    "changelog": [
+        {
+            "version": "1",
+            "date": "2026-08-14",
+            "contributors": [
+                "0009-0000-8651-1669"
+            ],
+            "reviewers": [
+                "0000-0002-4540-6501"
+            ],
+            "comment": "New entry. Reviewer 1 corrected text."
+        }
+    ],
+    "enzyme": {
+        "name": "GsfF",
+        "description": "Cytochrome P450",
+        "references": [
+            "doi:10.1021/cb400541z",
+            "doi:10.1016/j.chembiol.2010.03.015"
+        ],
+        "databaseIds": {
+            "uniprot": "D7PI20",
+            "genpept": "ADI24958.2",
+            "mibig": "BGC0000070"
+        },
+        "cofactors": {
+            "organic": [
+                "Heme",
+                "NADP"
+            ],
+            "inorganic": [
+                "Fe"
+            ]
+        }
+    },
+    "reactions": [
+        {
+            "tailoring": [
+                "Cyclization"
+            ],
+            "description": "GsfF catalyzes the intramolecular coupling reaction of griseophenone B, through either a di-radical ring coupling mechanism or an arene oxide intermediate. CYP oxireductase is required.",
+            "reactionSMARTS": "[#6:1]-[#8:2]-[#6:3]1:[#6:22](-[Cl:23]):[#6:20](-[#8:21]):[#6:7](-[#6:8](-[#6:10]2:[#6:17](-[#8:18]-[#6:19]):[#6:16]:[#6:14](-[#8]):[#6:13]:[#6:11]:2-[#6:12])=[#8:9]):[#6:5](-[#8:6]):[#6:4]:1>>[#6:1]-[#8:2]-[#6:3]1:[#6:22](-[Cl:23]):[#6:20]2-[#8@@:21]\\[#6@@:10]3(/[#6:8](=[#8:9])-[#6:7]:2:[#6:5](-[#8:6]):[#6:4]:1)-[#6:17](-[#8:18]-[#6:19])=[#6:16]-[#6:14](=[#8:2])-[#6:13]=[#6:11]-3-[#6:12]",
+            "reactions": [
+                {
+                    "substrate": "COc1cc(O)c(C(=O)c2c(C)cc(O)cc2OC)c(O)c1Cl",
+                    "products": [
+                        "COC1=CC(=O)C=C(C)[C@@]12Oc1c(Cl)c(OC)cc(O)c1C2=O"
+                    ],
+                    "isIntermediate": true,
+                    "description": "Oxidative coupling of orcinol and phloroglucinol yielding desmethyl-dehydrogriseofulvin A"
+                }
+            ],
+            "evidence": {
+                "evidenceCode": [
+                    "Heterologous expression",
+                    "In vitro assay",
+                    "Knock-out studies"
+                ],
+                "references": [
+                    "doi:10.1021/cb400541z"
+                ]
+            },
+            "databaseIds": {
+                "rhea": "73935"
+            }
+        }
+    ]
+}