Contributor submission DiaC

mite_data/data/5e80fba6-a473-11f1-a881-7d5f8d37e7b5.json

@@ -0,0 +1,90 @@
+{
+    "accession": "MITE9999999",
+    "status": "pending",
+    "comment": "DiaC is an SDR family ketoreductase. ",
+    "changelog": [
+        {
+            "version": "1",
+            "date": "2026-08-30",
+            "contributors": [
+                "0009-0008-8086-5325"
+            ],
+            "reviewers": [
+                "BBBBBBBBBBBBBBBBBBBBBBBB"
+            ],
+            "comment": "New entry."
+        }
+    ],
+    "enzyme": {
+        "name": "DiaC",
+        "description": "short-chain dehydrogenase/reductase (SDR)",
+        "references": [
+            "doi:10.1021/jacs.1c02868"
+        ],
+        "databaseIds": {
+            "uniprot": "UPI00006779B5",
+            "genpept": "BAE62225.1",
+            "mibig": "BGC0002237"
+        },
+        "cofactors": {
+            "organic": [
+                "NADP"
+            ]
+        }
+    },
+    "reactions": [
+        {
+            "tailoring": [
+                "Hydroxylation",
+                "Reduction"
+            ],
+            "description": "DiaC performs C10 ketoreduction in the biosynthesis of dichlorodiaporthin",
+            "reactionSMARTS": "[#6:1]-[#6:2](-[#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])=[#8:3]>>[#6:1]-[#6:2](-[#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)/[#8:3])=[#8:3]",
+            "reactions": [
+                {
+                    "substrate": "CC(=O)CC(=O)Cc1cc2cc(O)cc(O)c2c(=O)o1",
+                    "products": [
+                        "CC(=O)C[C@H](O)Cc1cc2cc(O)cc(O)c2c(=O)o1"
+                    ],
+                    "isIntermediate": true,
+                    "description": "DiaC is particularly efficient toward the deacetylated chlorinated intermediate of dichlorodiaporthin."
+                }
+            ],
+            "evidence": {
+                "evidenceCode": [
+                    "Heterologous expression",
+                    "In vitro assay"
+                ],
+                "references": [
+                    "doi:10.1021/jacs.1c02868"
+                ]
+            }
+        },
+        {
+            "tailoring": [
+                "Hydroxylation",
+                "Reduction"
+            ],
+            "description": "DiaC performs C10 ketoreduction of the deacetylated chlorinated intermediate in the dichlorodiaporthin biosynthesis.",
+            "reactionSMARTS": "[#8:1]-[#6:2]1:[#6:7]:[#6:6]2:[#6:8]:[#6:9](-[#6:13]-[#6:14](=[#8])-[#6:15](-[Cl:19])-[Cl:18]):[#8:10]:[#6:11](=[#8:12]):[#6:5]:2:[#6:4](-[#8:17]):[#6:3]:1>>[#8:1]-[#6:2]1:[#6:7]:[#6:6]2:[#6:8]:[#6:9](-[#6:13]-[#6@@:14](/[#8:1])-[#6:15](-[Cl:19])-[Cl:18]):[#8:10]:[#6:11](=[#8:12]):[#6:5]:2:[#6:4](-[#8:17]):[#6:3]:1",
+            "reactions": [
+                {
+                    "substrate": "O=C(Cc1cc2cc(O)cc(O)c2c(=O)o1)C(Cl)Cl",
+                    "products": [
+                        "O=c1oc(C[C@@H](O)C(Cl)Cl)cc2cc(O)cc(O)c12"
+                    ],
+                    "isIntermediate": true
+                }
+            ],
+            "evidence": {
+                "evidenceCode": [
+                    "Heterologous expression",
+                    "In vitro assay"
+                ],
+                "references": [
+                    "doi:10.1021/jacs.1c02868"
+                ]
+            }
+        }
+    ]
+}