{
    "accession": "MITE0000307",
    "status": "active",
    "comment": "Cytochrome P450 catalyzed C-C bond formation",
    "changelog": [
        {
            "version": "1",
            "date": "2026-04-14",
            "contributors": [
                "0000-0003-2971-646X"
            ],
            "reviewers": [
                "0000-0002-9747-3423"
            ],
            "comment": "New entry."
        }
    ],
    "enzyme": {
        "name": "AspB",
        "description": "Cytochrome P450",
        "references": [
            "doi:10.1021/acs.orglett.9b02666"
        ],
        "databaseIds": {
            "uniprot": "A0ACD6BAV5"
        },
        "cofactors": {
            "inorganic": [
                "Fe"
            ]
        }
    },
    "reactions": [
        {
            "tailoring": [
                "Biaryl bond formation",
                "Oxidation"
            ],
            "description": "tryptophan dimerization by C-C coupling",
            "reactionSMARTS": "[#6:1]1:[#6:19]:[#6:18]2:[#6:4](:[#7:5]:[#6:6]:[#6:7]:2-[#6:8]-[#6:21]2-[#6:16](=[#8:17])-[#7:15]3-[#6:20](-[#6:12]-[#6:13]-[#6:14]-3)-[#6:10](=[#8:11])-[#7:9]-2):[#6:3]:[#6:2]:1>>[#6:1]1:[#6:19]:[#6:18]2:[#6:4](:[#7:5](-[#6:2]3:[#6:3]:[#6:4]4:[#6:18](:[#6:19]:[#6:1]:3):[#6:7](-[#6:8]-[#6:21]3-[#6:16](=[#8:17])-[#7:15]5-[#6:20](-[#6:12]-[#6:13]-[#6:14]-5)-[#6:10](=[#8:11])-[#7:9]-3):[#6:6]:[#7:5]:4):[#6:6]:[#6:7]:2-[#6:8]-[#6:21]2-[#6:16](=[#8:17])-[#7:15]3-[#6:20](-[#6:12]-[#6:13]-[#6:14]-3)-[#6:10](=[#8:11])-[#7:9]-2):[#6:3]:[#6:2]:1",
            "reactions": [
                {
                    "substrate": "O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N2CCCC12",
                    "products": [
                        "O=C1NC(Cc2c[nH]c3cc(-n4cc(CC5NC(=O)C6CCCN6C5=O)c5ccccc54)ccc23)C(=O)N2CCCC12"
                    ],
                    "isIntermediate": true,
                    "description": "tryptophan dimerization by C-C coupling"
                }
            ],
            "evidence": {
                "evidenceCode": [
                    "Heterologous expression",
                    "Inference from genomic data and chemical structure",
                    "In vitro assay"
                ],
                "references": [
                    "doi:10.1021/acs.orglett.9b02666"
                ]
            }
        }
    ]
}