{
    "accession": "MITE0000216",
    "status": "active",
    "changelog": [
        {
            "version": "1",
            "date": "2025-08-29",
            "contributors": [
                "0000-0001-6534-6609"
            ],
            "reviewers": [
                "0000-0003-4819-2251"
            ],
            "comment": "New entry."
        }
    ],
    "enzyme": {
        "name": "ShyB",
        "description": "Cytochrome P450",
        "references": [
            "doi:10.1021/acs.orglett.5c01487"
        ],
        "databaseIds": {
            "uniprot": "UPI0001800A9B",
            "genpept": "ANW19516.1"
        },
        "cofactors": {
            "organic": [
                "Heme"
            ],
            "inorganic": [
                "Fe"
            ]
        }
    },
    "reactions": [
        {
            "tailoring": [
                "Biaryl bond formation"
            ],
            "description": "Biaryl bond formation between H-Y",
            "reactionSMARTS": "[#6:1]-[#16:2]-[#6:3]-[#6:4]-[#6@@:5](-[#6:7](-[#7:9]\\[#6@:10](-[#6:18](-[#7:20]/[#6@:21](-[#6:28](-[#7:30]\\[#6@:31](-[#6:37](-[#7:39]\\[#6@:40](-[#6:49](-[#8:51])=[#8:50])-[#6:41]-[#6:42]1:[#6:48]:[#6:47]:[#6:45](-[#8:46]):[#6:44]:[#6:43]:1)=[#8:38])-[#6:32]-[#6:33]-[#6:34](-[#8:36])=[#8:35])=[#8:29])-[#6:22]-[#6:23]1:[#7:27]:[#6:26]:[#7:25]:[#6:24]:1)=[#8:19])-[#6:11]-[#6:12]-[#6:13]-[#7:14]-[#6:15](-[#7:17])=[#7:16])=[#8:8])\\[#7:6]>>[#6:1]-[#16:2]-[#6:3]-[#6:4]-[#6@@:5](-[#6:7](-[#7:9]\\[#6@:10](-[#6:18](-[#7:20]/[#6@@:21]1-[#6:28](-[#7:30]\\[#6@:31](-[#6:37](-[#7:39]\\[#6@:40](-[#6:49](-[#8:51])=[#8:50])-[#6:41]-[#6:42]2:[#6:43]:[#6:44]:[#6:45](-[#8:46]-[#6:26]3:[#7:27]:[#6:23](:[#6:24]:[#7:25]:3)-[#6:22]-1):[#6:47]:[#6:48]:2)=[#8:38])-[#6:32]-[#6:33]-[#6:34](-[#8:36])=[#8:35])=[#8:29])=[#8:19])-[#6:11]-[#6:12]-[#6:13]-[#7:14]-[#6:15](-[#7:17])=[#7:16])=[#8:8])\\[#7:6]",
            "reactions": [
                {
                    "substrate": "CSCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O",
                    "products": [
                        "CSCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2c[nH]c(n2)Oc2ccc(cc2)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC1=O"
                    ],
                    "isIntermediate": true,
                    "description": "Biaryl bond formation on a MRHEY pentapeptide"
                }
            ],
            "evidence": {
                "evidenceCode": [
                    "Heterologous expression",
                    "In vitro assay"
                ],
                "references": [
                    "doi:10.1021/acs.orglett.5c01487"
                ]
            }
        },
        {
            "tailoring": [
                "Biaryl bond formation"
            ],
            "description": "Biaryl bond formation between Y-Y",
            "reactionSMARTS": "[#6:1]-[#16:2]-[#6:3]-[#6:4]-[#6@@:5](-[#6:7](-[#7:9]\\[#6@:10](-[#6:18](-[#7:20]\\[#6@:21](-[#6:30](-[#7:32]\\[#6@:33](-[#6:39](-[#7:41]\\[#6@:42](-[#6:51](-[#8:53])=[#8:52])-[#6:43]-[#6:44]1:[#6:50]:[#6:49]:[#6:47](-[#8:48]):[#6:46]:[#6:45]:1)=[#8:40])-[#6:34]-[#6:35]-[#6:36](-[#8:38])=[#8:37])=[#8:31])-[#6:22]-[#6:23]1:[#6:29]:[#6:28]:[#6:26](-[#8:27]):[#6:25]:[#6:24]:1)=[#8:19])-[#6:11]-[#6:12]-[#6:13]-[#7:14]-[#6:15](-[#7:17])=[#7:16])=[#8:8])\\[#7:6]>>[#6:1]-[#16:2]-[#6:3]-[#6:4]-[#6@@:5](-[#6:7](-[#7:9]\\[#6@:10](-[#6:18](-[#7:20]\\[#6@@:21]1-[#6:30](-[#7:32]\\[#6@:33](-[#6:39](-[#7:41]\\[#6@:42](-[#6:51](-[#8:53])=[#8:52])-[#6:43]-[#6:44]2:[#6:45]:[#6:46]:[#6:47](-[#8:48]-[#6:25]3:[#6:26](:[#6:28]:[#6:29]:[#6:23](:[#6:24]:3)-[#6:22]-1)-[#8:27]):[#6:49]:[#6:50]:2)=[#8:40])-[#6:34]-[#6:35]-[#6:36](-[#8:38])=[#8:37])=[#8:31])=[#8:19])-[#6:11]-[#6:12]-[#6:13]-[#7:14]-[#6:15](-[#7:17])=[#7:16])=[#8:8])\\[#7:6]",
            "reactions": [
                {
                    "substrate": "CSCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O",
                    "products": [
                        "CSCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccc(O)c(c2)Oc2ccc(cc2)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC1=O"
                    ],
                    "isIntermediate": true,
                    "description": "Biaryl bond formation on a MRYEY pentapeptide"
                }
            ],
            "evidence": {
                "evidenceCode": [
                    "Heterologous expression",
                    "In vitro assay"
                ],
                "references": [
                    "doi:10.1021/acs.orglett.5c01487"
                ]
            }
        }
    ]
}