Contributor submission GutD2774

mite_data/data/91cb13e2-69a5-11f1-822f-9b3014917364.json

@@ -0,0 +1,91 @@
+{
+    "accession": "MITE9999999",
+    "status": "pending",
+    "comment": "GutD2774 catalyzes the transfer of hypoxanthine and guanine to the indole ring of cyclo-l-Trp-l-Trp",
+    "changelog": [
+        {
+            "version": "1",
+            "date": "2026-06-16",
+            "contributors": [
+                "0009-0008-8086-5325"
+            ],
+            "reviewers": [
+                "BBBBBBBBBBBBBBBBBBBBBBBB"
+            ],
+            "comment": "New entry."
+        }
+    ],
+    "enzyme": {
+        "name": "GutD2774",
+        "description": "Cytochrome P450",
+        "references": [
+            "doi:10.1021/acs.orglett.9b03491"
+        ],
+        "databaseIds": {
+            "uniprot": "UPI00068B4E68",
+            "mibig": "BGC0003082"
+        },
+        "cofactors": {
+            "organic": [
+                "Heme"
+            ],
+            "inorganic": [
+                "Fe"
+            ]
+        }
+    },
+    "reactions": [
+        {
+            "tailoring": [
+                "Other"
+            ],
+            "description": "GutD2774 use the substrate cWW and attach hypoxanthine via its N1 \u0301 to C2 (Guanitrypmycin C3-3) and C2 \u0301 to C3 (Guanitrypmycin C3-4) of the indole",
+            "reactionSMARTS": "[#8]=[#6:2]1-[#6:3](-[#6:14]-[#6:6]2-[#6:5]-[#7:13]-[#6:12]3-[#6:11]-[#6:10]-[#6:9]-[#6:8]-[#6:7]-2-3)-[#7:4]-[#6:27](=[#8:28])-[#6:16](-[#6:17]-[#6:18]2-[#6:19]-[#7:20]-[#6:21]3-[#6:22]-2-[#6:23]-[#6:24]-[#6:25]-[#6:26]-3)-[#7:15]-1.[#7]1-[#6]-[#7]-[#6]2-[#6](=[#8])-[#7]-[#6]-[#7]-[#6]-1-2>>[#8:28]=[#6:27]1-[#6:16]2-[#7:15](-[#6:19]3-[#6:18](-[#6:17]-2)(-[#6]2-[#7]-[#6]4-[#6](-[#7]-[#6]-[#7]-4)-[#6](=[#8])-[#7]-2)-[#6:22]2-[#6:21](-[#6:26]-[#6:25]-[#6:24]-[#6:23]-2)-[#7:20]-3)-[#6:2](=[#8])-[#6:3](-[#6:14]-[#6:6]2-[#6:5]-[#7:13]-[#6:12]3-[#6:7]-2-[#6:8]-[#6:9]-[#6:10]-[#6:11]-3)-[#7:4]-1.[#8]=[#6:27]1-[#6:16](-[#6:17]-[#6:18]2-[#6:19](-[#7]3-[#6](=[#8])-[#6]4-[#7]-[#6]-[#7]-[#6]-4-[#7]-[#6]-3)-[#7:20]-[#6:21]3-[#6:26]-[#6:25]-[#6:24]-[#6:23]-[#6:22]-2-3)-[#7:15]-[#6:2](=[#8:1])-[#6:3](-[#6:14]-[#6:6]2-[#6:5]-[#7:13]-[#6:12]3-[#6:7]-2-[#6:8]-[#6:9]-[#6:10]-[#6:11]-3)-[#7:4]-1",
+            "reactions": [
+                {
+                    "substrate": "O=C1NC(CC2CNC3CCCCC23)C(=O)NC1CC1CNC2CCCCC12.O=C1NCNC2NCNC12",
+                    "products": [
+                        "O=C1NC(C23CC4C(=O)NC(CC5CNC6CCCCC56)C(=O)N4C2NC2CCCCC23)NC2NCNC12",
+                        "O=C1NC(CC2C3CCCCC3NC2N2CNC3NCNC3C2=O)C(=O)NC1CC1CNC2CCCCC12"
+                    ],
+                    "isIntermediate": false
+                }
+            ],
+            "evidence": {
+                "evidenceCode": [
+                    "Heterologous expression",
+                    "In vitro assay"
+                ],
+                "references": [
+                    "doi:10.1021/acs.orglett.9b03491"
+                ]
+            }
+        },
+        {
+            "tailoring": [
+                "Other"
+            ],
+            "description": "GutD2774 also uses guanine as a substrate, resulting in the formation of the minor side products guanitrypmycin C3-1 (C8' to N1 of indole) and guanitrypmycin C3-2 (C8' to C3 of indole) ",
+            "reactionSMARTS": "[#8:1]=[#6:2]1-[#6:3](-[#6:14]-[#6:6]2-[#6:5]-[#7:13]-[#6:12]3-[#6:11]-[#6:10]-[#6:9]-[#6:8]-[#6:7]-2-3)-[#7:4]-[#6:27](=[#8:28])-[#6:16](-[#6:17]-[#6:18]2-[#6:19]-[#7:20]-[#6:21]3-[#6:22]-2-[#6:23]-[#6:24]-[#6:25]-[#6:26]-3)-[#7:15]-1.[#7]1-[#6]-[#7]-[#6]2-[#6](=[#8])-[#7]-[#6](-[#7])-[#7]-[#6]-1-2>>[#8:28]=[#6:27]1-[#6:16](-[#6:17]-[#6:18]2-[#6:19]-[#7:20](-[#6]3-[#7]-[#6]4-[#6](-[#7]-[#6](-[#7]-[#6]-4=[#8])-[#7])-[#7]-3)-[#6:21]3-[#6:26]-[#6:25]-[#6:24]-[#6:23]-[#6:22]-2-3)-[#7:15]-[#6:2](=[#8:1])-[#6:3](-[#6:14]-[#6:6]2-[#6:5]-[#7:13]-[#6:12]3-[#6:7]-2-[#6:8]-[#6:9]-[#6:10]-[#6:11]-3)-[#7:4]-1.[#8:28]=[#6:27]1-[#6:16]2-[#7:15](-[#6:19]3-[#6:18](-[#6:17]-2)(-[#6]2-[#7]-[#6]4-[#6](-[#6](-[#7]-[#6](-[#7]-4)-[#7])=[#8])-[#7]-2)-[#6:22]2-[#6:21](-[#6:26]-[#6:25]-[#6:24]-[#6:23]-2)-[#7:20]-3)-[#6:2](=[#8:1])-[#6:3](-[#6:14]-[#6:6]2-[#6:5]-[#7:13]-[#6:12]3-[#6:7]-2-[#6:8]-[#6:9]-[#6:10]-[#6:11]-3)-[#7:4]-1",
+            "reactions": [
+                {
+                    "substrate": "NC1NC(=O)C2NCNC2N1.O=C1NC(CC2CNC3CCCCC23)C(=O)NC1CC1CNC2CCCCC12",
+                    "products": [
+                        "NC1NC(=O)C2NC(N3CC(CC4NC(=O)C(CC5CNC6CCCCC56)NC4=O)C4CCCCC43)NC2N1",
+                        "NC1NC(=O)C2NC(C34CC5C(=O)NC(CC6CNC7CCCCC67)C(=O)N5C3NC3CCCCC34)NC2N1"
+                    ],
+                    "isIntermediate": false
+                }
+            ],
+            "evidence": {
+                "evidenceCode": [
+                    "Heterologous expression",
+                    "In vitro assay"
+                ],
+                "references": [
+                    "doi:10.1021/acs.orglett.9b03491"
+                ]
+            }
+        }
+    ]
+}