{
    "accession": "MITE0000188",
    "status": "active",
    "changelog": [
        {
            "version": "1",
            "date": "2024-12-01",
            "contributors": [
                "0009-0000-2169-0598"
            ],
            "reviewers": [
                "0009-0001-3436-5302",
                "0000-0001-6534-6609"
            ],
            "comment": "New entry. Reviewer 1 added missing reactions for BorI"
        },
        {
            "version": "2",
            "date": "2025-07-25",
            "contributors": [
                "AAAAAAAAAAAAAAAAAAAAAAAA"
            ],
            "reviewers": [
                "0000-0001-6534-6609"
            ],
            "comment": "Added cofactor information"
        },
        {
            "version": "3",
            "date": "2025-08-26",
            "contributors": [
                "AAAAAAAAAAAAAAAAAAAAAAAA"
            ],
            "reviewers": [
                "0000-0001-6534-6609"
            ],
            "comment": "Homogenized enzyme descriptions"
        }
    ],
    "enzyme": {
        "name": "BorI",
        "description": "Cytochrome P450",
        "references": [
            "doi:10.1111/j.1365-2958.2004.04090.x"
        ],
        "databaseIds": {
            "uniprot": "Q70HZ6",
            "genpept": "CAE45673.1",
            "mibig": "BGC0000031"
        },
        "auxiliaryEnzymes": [
            {
                "name": "BorK",
                "description": "Dehydrogenase, improves conversion rate of BorI",
                "databaseIds": {
                    "uniprot": "Q70HZ4",
                    "genpept": "CAE45675.1"
                }
            }
        ],
        "cofactors": {
            "inorganic": [
                "Fe"
            ],
            "organic": [
                "Heme"
            ]
        }
    },
    "reactions": [
        {
            "tailoring": [
                "Oxidation"
            ],
            "description": "Oxidation of 12-C hydroxyl group of pre-borrelidin to a carbonyl",
            "reactionSMARTS": "[#6:1]1(/[#6@@:9]2-[#8:33]-[#6:31](=[#8:32])-[#6:30]-[#6@:28](/[#8:29])-[#6@@:26](\\[#6:27])-[#6:25]-[#6@@:23](\\[#6:24])-[#6:22]-[#6@@:20](\\[#6:21])-[#6:19]-[#6@:17](/[#6:18])-[#6@@:15](/[#8:16])-[#6:13](-[#6:14])=[#6:12]-[#6:34]=[#6:11]-[#6:10]-2)-[#6@@:5](\\[#6:6](=[#8:8])-[#8:7])-[#6:4]-[#6:3]-[#6:2]-1>>[#6:1]1(/[#6@@:9]2-[#8:33]-[#6:31](=[#8:32])-[#6:30]-[#6@:28](/[#8:29])-[#6@@:26](\\[#6:27])-[#6:25]-[#6@@:23](\\[#6:24])-[#6:22]-[#6@@:20](\\[#6:21])-[#6:19]-[#6@:17](/[#6:18])-[#6@@:15](/[#8:16])-[#6:13](-[#6:14]-[#8])=[#6:12]-[#6:34]=[#6:11]-[#6:10]-2)-[#6@@:5](\\[#6:6](=[#8:8])-[#8:7])-[#6:4]-[#6:3]-[#6:2]-1",
            "reactions": [
                {
                    "substrate": "CC1=CC=CC[C@H](C2CCC[C@@H]2C(=O)O)OC(=O)C[C@H](O)[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@H](C)[C@H]1O",
                    "products": [
                        "C[C@@H]1C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O[C@@H](C2CCC[C@@H]2C(=O)O)CC=CC=C(CO)[C@H](O)[C@@H](C)C1"
                    ],
                    "isIntermediate": true
                }
            ],
            "evidence": {
                "evidenceCode": [
                    "Heterologous expression",
                    "Knock-out studies",
                    "Site-directed mutagenesis"
                ],
                "references": [
                    "doi:10.1111/j.1365-2958.2004.04090.x"
                ]
            }
        },
        {
            "tailoring": [
                "Hydroxylation"
            ],
            "description": "Hydroxylation of 12-C of pre-borrelidin",
            "reactionSMARTS": "[#6:1]1(/[#6@@:9]2-[#8:33]-[#6:31](=[#8:32])-[#6:30]-[#6@:28](/[#8:29])-[#6@@:26](\\[#6:27])-[#6:25]-[#6@@:23](\\[#6:24])-[#6:22]-[#6@@:20](\\[#6:21])-[#6:19]-[#6@:17](/[#6:18])-[#6@@:15](/[#8:16])-[#6:13](-[#6:14]-[#8])=[#6:12]-[#6:34]=[#6:11]-[#6:10]-2)-[#6@@:5](\\[#6:6](=[#8:8])-[#8:7])-[#6:4]-[#6:3]-[#6:2]-1>>[#6:1]1(/[#6@@:9]2-[#8:33]-[#6:31](=[#8:32])-[#6:30]-[#6@:28](/[#8:29])-[#6@@:26](\\[#6:27])-[#6:25]-[#6@@:23](\\[#6:24])-[#6:22]-[#6@@:20](\\[#6:21])-[#6:19]-[#6@:17](/[#6:18])-[#6@@:15](/[#8:16])-[#6:13](-[#6:14]=[#8])=[#6:12]-[#6:34]=[#6:11]-[#6:10]-2)-[#6@@:5](\\[#6:6](=[#8:8])-[#8:7])-[#6:4]-[#6:3]-[#6:2]-1",
            "reactions": [
                {
                    "substrate": "C[C@@H]1C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O[C@@H](C2CCC[C@@H]2C(=O)O)CC=CC=C(CO)[C@H](O)[C@@H](C)C1",
                    "products": [
                        "C[C@@H]1C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O[C@@H](C2CCC[C@@H]2C(=O)O)CC=CC=C(C=O)[C@H](O)[C@@H](C)C1"
                    ],
                    "isIntermediate": true
                }
            ],
            "evidence": {
                "evidenceCode": [
                    "Heterologous expression",
                    "Knock-out studies",
                    "Site-directed mutagenesis"
                ],
                "references": [
                    "doi:10.1111/j.1365-2958.2004.04090.x"
                ]
            }
        },
        {
            "tailoring": [
                "Hydroxylation"
            ],
            "description": "Di-hydroxylation of 12-C-bound primary amine of pre-borrelidin",
            "reactionSMARTS": "[#6:1]1(/[#6@@:9]2-[#8:33]-[#6:31](=[#8:32])-[#6:30]-[#6@:28](/[#8:29])-[#6@@:26](\\[#6:27])-[#6:25]-[#6@@:23](\\[#6:24])-[#6:22]-[#6@@:20](\\[#6:21])-[#6:19]-[#6@:17](/[#6:18])-[#6@@:15](/[#8:16])-[#6:13](-[#6:14]-[#7])=[#6:12]-[#6:34]=[#6:11]-[#6:10]-2)-[#6@@:5](\\[#6:6](=[#8:8])-[#8:7])-[#6:4]-[#6:3]-[#6:2]-1>>[#6:1]1(/[#6@@:9]2-[#8:33]-[#6:31](=[#8:32])-[#6:30]-[#6@:28](/[#8:29])-[#6@@:26](\\[#6:27])-[#6:25]-[#6@@:23](\\[#6:24])-[#6:22]-[#6@@:20](\\[#6:21])-[#6:19]-[#6@:17](/[#6:18])-[#6@@:15](/[#8:16])-[#6:13](-[#6:14]-[#7](-[#8])-[#8])=[#6:12]-[#6:34]=[#6:11]-[#6:10]-2)-[#6@@:5](\\[#6:6](=[#8:8])-[#8:7])-[#6:4]-[#6:3]-[#6:2]-1",
            "reactions": [
                {
                    "substrate": "C[C@@H]1C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O[C@@H](C2CCC[C@@H]2C(=O)O)CC=CC=C(CN)[C@H](O)[C@@H](C)C1",
                    "products": [
                        "C[C@@H]1C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O[C@@H](C2CCC[C@@H]2C(=O)O)CC=CC=C(CN(O)O)[C@H](O)[C@@H](C)C1"
                    ],
                    "isIntermediate": true
                }
            ],
            "evidence": {
                "evidenceCode": [
                    "Heterologous expression",
                    "Knock-out studies",
                    "Site-directed mutagenesis"
                ],
                "references": [
                    "doi:10.1111/j.1365-2958.2004.04090.x"
                ]
            }
        },
        {
            "tailoring": [
                "Dehydration"
            ],
            "description": "Aldoxime-formation via dehydation of N,N-dihydroxylamine",
            "reactionSMARTS": "[#6:1]1(/[#6@@:9]2-[#8:33]-[#6:31](=[#8:32])-[#6:30]-[#6@:28](/[#8:29])-[#6@@:26](\\[#6:27])-[#6:25]-[#6@@:23](\\[#6:24])-[#6:22]-[#6@@:20](\\[#6:21])-[#6:19]-[#6@:17](/[#6:18])-[#6@@:15](/[#8:16])-[#6:13](-[#6:14]-[#7](-[#8])-[#8])=[#6:12]-[#6:34]=[#6:11]-[#6:10]-2)-[#6@@:5](\\[#6:6](=[#8:8])-[#8:7])-[#6:4]-[#6:3]-[#6:2]-1>>[#6:1]1(/[#6@@:9]2-[#8:33]-[#6:31](=[#8:32])-[#6:30]-[#6@:28](/[#8:29])-[#6@@:26](\\[#6:27])-[#6:25]-[#6@@:23](\\[#6:24])-[#6:22]-[#6@@:20](\\[#6:21])-[#6:19]-[#6@:17](/[#6:18])-[#6@@:15](/[#8:16])-[#6:13](-[#6:14]=[#7]-[#8])=[#6:12]-[#6:34]=[#6:11]-[#6:10]-2)-[#6@@:5](\\[#6:6](=[#8:8])-[#8:7])-[#6:4]-[#6:3]-[#6:2]-1",
            "reactions": [
                {
                    "substrate": "C[C@@H]1C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O[C@@H](C2CCC[C@@H]2C(=O)O)CC=CC=C(CN(O)O)[C@H](O)[C@@H](C)C1",
                    "products": [
                        "C[C@@H]1C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O[C@@H](C2CCC[C@@H]2C(=O)O)CC=CC=C(C=NO)[C@H](O)[C@@H](C)C1"
                    ],
                    "isIntermediate": true
                }
            ],
            "evidence": {
                "evidenceCode": [
                    "Heterologous expression",
                    "Knock-out studies",
                    "Site-directed mutagenesis"
                ],
                "references": [
                    "doi:10.1111/j.1365-2958.2004.04090.x"
                ]
            }
        },
        {
            "tailoring": [
                "Dehydration"
            ],
            "description": "Nitrile-formation via dehydation aldoxime",
            "reactionSMARTS": "[#6:1]1(/[#6@@:9]2-[#8:33]-[#6:31](=[#8:32])-[#6:30]-[#6@:28](/[#8:29])-[#6@@:26](\\[#6:27])-[#6:25]-[#6@@:23](\\[#6:24])-[#6:22]-[#6@@:20](\\[#6:21])-[#6:19]-[#6@:17](/[#6:18])-[#6@@:15](/[#8:16])-[#6:13](-[#6:14]=[#7]-[#8])=[#6:12]-[#6:34]=[#6:11]-[#6:10]-2)-[#6@@:5](\\[#6:6](=[#8:8])-[#8:7])-[#6:4]-[#6:3]-[#6:2]-1>>[#6:1]1(/[#6@@:9]2-[#8:33]-[#6:31](=[#8:32])-[#6:30]-[#6@:28](/[#8:29])-[#6@@:26](\\[#6:27])-[#6:25]-[#6@@:23](\\[#6:24])-[#6:22]-[#6@@:20](\\[#6:21])-[#6:19]-[#6@:17](/[#6:18])-[#6@@:15](/[#8:16])-[#6:13](-[#6:14]#[#7])=[#6:12]-[#6:34]=[#6:11]-[#6:10]-2)-[#6@@:5](\\[#6:6](=[#8:8])-[#8:7])-[#6:4]-[#6:3]-[#6:2]-1",
            "reactions": [
                {
                    "substrate": "C[C@@H]1C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O[C@@H](C2CCC[C@@H]2C(=O)O)CC=CC=C(C=NO)[C@H](O)[C@@H](C)C1",
                    "products": [
                        "C[C@@H]1C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O[C@@H](C2CCC[C@@H]2C(=O)O)CC=CC=C(C#N)[C@H](O)[C@@H](C)C1"
                    ],
                    "isIntermediate": false
                }
            ],
            "evidence": {
                "evidenceCode": [
                    "Heterologous expression",
                    "Knock-out studies",
                    "Site-directed mutagenesis"
                ],
                "references": [
                    "doi:10.1111/j.1365-2958.2004.04090.x"
                ]
            }
        }
    ]
}