Contributor submission PaMT

mite_data/data/MITE9999999.json

@@ -0,0 +1,78 @@
+{
+    "accession": "MITE9999999",
+    "status": "active",
+    "comment": "Methylation of Fusicoccin Q to give Fusicoccin P and related terpenoid intermediates.",
+    "changelog": [
+        {
+            "version": "1",
+            "date": "2026-05-15",
+            "contributors": [
+                "0000-0002-0771-9611"
+            ],
+            "reviewers": [
+                "0000-0003-4819-2251"
+            ],
+            "comment": "Revised SMARTS/SMILES, added side reactions observed in vitro, added cofactor information."
+        }
+    ],
+    "enzyme": {
+        "name": "PaMT",
+        "description": "O-Methyltransferase",
+        "references": [
+            "doi:10.1371/journal.pone.0042090"
+        ],
+        "databaseIds": {
+            "uniprot": "L0MXX3",
+            "genpept": "BAM71033.1"
+        },
+        "cofactors": {
+            "organic": [
+                "SAM"
+            ]
+        }
+    },
+    "reactions": [
+        {
+            "tailoring": [
+                "Methylation"
+            ],
+            "description": "O-methylation of fusicoccin terpene scaffold to yield methylated derivatives.",
+            "reactionSMARTS": "[#6:1]-[#6:2](-[#6:4]1-[#6:23]-[#6:22]-[#6@@:20]2(/[#6:21])-[#6:5]=1-[#6@:6](-[#6@@:8](-[#6@@:10](-[#6@:12]1/[#6:18](=[#6:19]-2)-[#6@@:15](/[#6:16]-[#8:17])-[#6:14]-[#6:13]-1)/[#6:11])/[#8:9])\\[#8:7])-[#6:3]>>[#6:3]-[#6:2](-[#6:4]1-[#6:23]-[#6:22]-[#6@@:20]2(/[#6:21])-[#6:5]=1-[#6@:6](-[#6@@:8](-[#6@@:10](-[#6@:12]1/[#6:18](=[#6:19]-2)-[#6@@:15](/[#6:16]-[#8:17]-[#6])-[#6:14]-[#6:13]-1)/[#6:11])/[#8:9])\\[#8:7])-[#6:1]",
+            "reactions": [
+                {
+                    "substrate": "CC(C)C1=C2[C@@H](OC3O[C@H](CO)[C@@H](O)C(O)C3O)[C@H](O)[C@H](C)[C@@H]3CC[C@H](CO)/C3=C/[C@@]2(C)[C@@H](O)C1",
+                    "products": [
+                        "COC[C@H]1CC[C@@H]2C1=C[C@]1(C)C(=C(C(C)C)C[C@@H]1O)[C@@H](OC1O[C@H](CO)[C@@H](O)C(O)C1O)[C@H](O)[C@@H]2C"
+                    ],
+                    "isIntermediate": true,
+                    "description": "Methylation of fusicoccin Q to yield fusicoccin P, intermediate in the biosynthetic patwhay of fusicoccin A. Could not be demonstrated in vitro due to unavaialability of substrate, inferred."
+                },
+                {
+                    "substrate": "CC(C)C1=C2[C@@H](O)[C@H](O)[C@H](C)[C@@H]3CC[C@H](CO)/C3=C/[C@@]2(C)CC1",
+                    "products": [
+                        "COC[C@H]1CC[C@@H]2C1=C[C@@]1(C)CCC(C(C)C)=C1[C@@H](O)[C@H](O)[C@@H]2C"
+                    ],
+                    "isIntermediate": true,
+                    "description": "Methylation of fusicoccin H aglycon to 16-O-methyl derivative, observed in vitro in trace amounts."
+                },
+                {
+                    "substrate": "CC(C)C1=C2[C@@H](OC3O[C@H](CO)[C@@H](O)C(O)C3O)[C@H](O)[C@H](C)[C@@H]3CC[C@H](CO)/C3=C/[C@@]2(C)CC1",
+                    "products": [
+                        "COC[C@H]1CC[C@@H]2C1=C[C@@]1(C)CCC(C(C)C)=C1[C@@H](OC1O[C@H](CO)[C@@H](O)C(O)C1O)[C@H](O)[C@@H]2C"
+                    ],
+                    "isIntermediate": true,
+                    "description": "Methylation of fusicoccin H to yield 16-O-methyl-fusicoccin H, observed in vitro but not main step of the biosynthetic pathway."
+                }
+            ],
+            "evidence": {
+                "evidenceCode": [
+                    "Inference from genomic data and chemical structure",
+                    "In vitro assay"
+                ],
+                "references": [
+                    "doi:10.1371/journal.pone.0042090"
+                ]
+            }
+        }
+    ]
+}