Contributor submission AoiF

mite_data/data/8f6741a4-a3aa-11f1-a881-7d5f8d37e7b5.json

@@ -0,0 +1,65 @@
+{
+    "accession": "MITE9999999",
+    "status": "pending",
+    "comment": "AoiF is a SAM-dependent O-methyltransferase performing a tandem methylation in the biosynthesis of 8-methyldiaporthin",
+    "changelog": [
+        {
+            "version": "1",
+            "date": "2026-08-29",
+            "contributors": [
+                "0009-0008-8086-5325"
+            ],
+            "reviewers": [
+                "BBBBBBBBBBBBBBBBBBBBBBBB"
+            ],
+            "comment": "New entry."
+        }
+    ],
+    "enzyme": {
+        "name": "AoiF",
+        "description": "O-methyltransferase",
+        "references": [
+            "doi:10.1002/cbic.201200107"
+        ],
+        "databaseIds": {
+            "uniprot": "UPI000067881C",
+            "genpept": "BAE65964.1",
+            "mibig": "BGC0002236"
+        },
+        "cofactors": {
+            "organic": [
+                "SAM"
+            ]
+        }
+    },
+    "reactions": [
+        {
+            "tailoring": [
+                "Methylation"
+            ],
+            "description": "AoiF catalyzes double methyltransfer reactions to biosynthesize 8-methyldiaporthin",
+            "reactionSMARTS": "[#6:1]\\[#6@@:2](-[#6:4]-[#6:5]1:[#8:17]:[#6:15](=[#8:16]):[#6:14]2:[#6:7](:[#6:8]:[#6:9](:[#6:11]:[#6:12]:2-[#8:13])-[#8:10]):[#6:6]:1)-[#8:3]>>[#6]\\[#6@@](-[#6]-[#6]1:[#8]:[#6](=[#8]):[#6]2:[#6](:[#6]:[#6](:[#6]:[#6]:2-[#8])-[#8]-[#6]):[#6]:1)-[#8].[#6:1]\\[#6@@:2](-[#6:4]-[#6:5]1:[#8:17]:[#6:15](=[#8:16]):[#6:14]2:[#6:7](:[#6:8]:[#6:9](:[#6:11]:[#6:12]:2-[#8:13]-[#6])-[#8:10]-[#6]):[#6:6]:1)-[#8:3]",
+            "reactions": [
+                {
+                    "substrate": "C[C@H](O)Cc1cc2cc(O)cc(O)c2c(=O)o1",
+                    "products": [
+                        "COc1cc(O)c2c(=O)oc(C[C@H](C)O)cc2c1",
+                        "COc1cc(OC)c2c(=O)oc(C[C@H](C)O)cc2c1"
+                    ],
+                    "isIntermediate": false,
+                    "description": "AoiF catalyzes first O-methylation in Orthosporin to produce diaporthin, followed by subsequent methylation on diaporthin to produce 8-methyldiaporthin."
+                }
+            ],
+            "evidence": {
+                "evidenceCode": [
+                    "Heterologous expression",
+                    "Inference from genomic data and chemical structure"
+                ],
+                "references": [
+                    "doi:10.1002/cbic.201200107",
+                    "doi:10.1021/jacs.1c02868"
+                ]
+            }
+        }
+    ]
+}