{
    "accession": "MITE0000152",
    "comment": "Previously referenced retired MIBiG ID BGC0003035.",
    "status": "active",
    "changelog": [
        {
            "version": "1",
            "date": "2024-07-30",
            "contributors": [
                "0000-0002-9152-2562"
            ],
            "reviewers": [
                "0000-0001-6534-6609",
                "0000-0003-0443-9902"
            ],
            "comment": "Initial entry. Reviewer partially fixed reactionSMARTS:reactionSMARTS, validation still not passing. Reviewer 1 fixed numbering of reaction SMARTS, reaction passes."
        },
        {
            "version": "2",
            "date": "2025-07-25",
            "contributors": [
                "AAAAAAAAAAAAAAAAAAAAAAAA"
            ],
            "reviewers": [
                "0000-0001-6534-6609"
            ],
            "comment": "Added cofactor information"
        },
        {
            "version": "3",
            "date": "2025-10-27",
            "contributors": [
                "AAAAAAAAAAAAAAAAAAAAAAAA"
            ],
            "reviewers": [
                "0000-0001-6534-6609"
            ],
            "comment": "Replaced retired UniProtKB ID with UniParc ID"
        },
        {
            "version": "4",
            "date": "2026-07-03",
            "contributors": [
                "AAAAAAAAAAAAAAAAAAAAAAAA"
            ],
            "reviewers": [
                "0000-0001-6534-6609"
            ],
            "comment": "Removed retired MIBIG ID."
        }
    ],
    "enzyme": {
        "name": "ScnB",
        "description": "Cytochrome P450",
        "references": [
            "doi:10.1002/anie.202311533"
        ],
        "databaseIds": {
            "uniprot": "UPI00062E048D",
            "genpept": "AKH82808.1"
        },
        "cofactors": {
            "inorganic": [
                "Fe"
            ],
            "organic": [
                "Heme"
            ]
        }
    },
    "reactions": [
        {
            "tailoring": [
                "Biaryl bond formation"
            ],
            "description": "Installs biaryl crosslink between trp-trp",
            "reactionSMARTS": "[#6:1]-[#6:2]-[#6@@:3](-[#6@@:5](/[#6:46](-[#7:48]/[#6@:49](-[#6:60](=[#8:62])-[#8:61])-[#6:50]-[#6:51]1:[#6:59]2:[#6:54](:[#6:55]:[#6:56]:[#6:57]:[#6:58]:2):[nH:53]:[#6:52]:1)=[#8:47])-[#7:6]-[#6:7](\\[#6@@:9](-[#7:17]-[#6:18](\\[#6@@:20](-[#7:31]-[#6:32](-[#6@@:34](-[#7:36]-[#6:37](-[#6@:39](-[#6:41]-[#6:42]-[#6:43](=[#8:45])-[#7:44])\\[#7:40])=[#8:38])\\[#6:35])=[#8:33])-[#6:21]-[#6:22]1:[#6:30]2:[#6:25](:[#6:26]:[#6:27]:[#6:28]:[#6:29]:2):[nH:24]:[#6:23]:1)=[#8:19])-[#6:10]-[#6:11]-[#6:12]-[#7:13]-[#6:14](=[#7:16])-[#7:15])=[#8:8])/[#6:4]>>[#6:1]-[#6:2]-[#6@@:3](-[#6@:5]1/[#6:46](-[#7:48]/[#6@:49](-[#6:60](=[#8:62])-[#8:61])-[#6:50]-[#6:51]2:[#6:59]3:[#6:54](:[#6:55]:[#6:56]:[#6:57]:[#6:58]:3):[n&H0:53](-[#6&H0:26]3:[#6:27]:[#6:28]:[#6:29]:[#6:30]4:[#6:25]:3:[nH:24]:[#6:23]:[#6:22]:4-[#6:21]-[#6@:20](-[#7:31]-[#6:32](-[#6@@:34](-[#7:36]-[#6:37](-[#6@:39](-[#6:41]-[#6:42]-[#6:43](=[#8:45])-[#7:44])\\[#7:40])=[#8:38])\\[#6:35])=[#8:33])\\[#6:18](=[#8:19])-[#7:17]-[#6@@:9](-[#6:10]-[#6:11]-[#6:12]-[#7:13]-[#6:14](=[#7:16])-[#7:15])\\[#6:7](=[#8:8])-[#7:6]-1):[#6:52]:2)=[#8:47])/[#6:4]",
            "reactions": [
                {
                    "substrate": "CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O",
                    "products": [
                        "CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(N)=O)Cc2c[nH]c3c(cccc23)-n2cc(c3ccccc32)C[C@@H](C(=O)O)NC1=O"
                    ],
                    "isIntermediate": true
                }
            ],
            "evidence": {
                "evidenceCode": [
                    "In vitro assay"
                ],
                "references": [
                    "doi:10.1002/anie.202311533"
                ]
            }
        }
    ]
}