{
    "accession": "MITE0000040",
    "status": "active",
    "changelog": [
        {
            "version": "1",
            "date": "2024-07-30",
            "contributors": [
                "0009-0008-7609-4484"
            ],
            "reviewers": [
                "0000-0002-9747-3423"
            ],
            "comment": "Initial entry. Reviewer 1 checked entry for correctness, changed enzyme and reaction description"
        },
        {
            "version": "2",
            "date": "2025-01-16",
            "contributors": [
                "0000-0001-6534-6609"
            ],
            "reviewers": [
                "0000-0003-1763-2525"
            ],
            "comment": "Fixed typo in enzyme name (Vhal -> VhaA). Reviewer 1 checked for correctness, add reference  (doi.org/10.1039/C4OB00474D), change evidence from 'Knock-out studies' to 'Chemical probe', and remove reference (doi:10.1186/1471-2164-15-363) from evidence section."
        },
        {
            "version": "3",
            "date": "2025-07-25",
            "contributors": [
                "AAAAAAAAAAAAAAAAAAAAAAAA"
            ],
            "reviewers": [
                "0000-0002-9747-3423"
            ],
            "comment": "Added cofactor information. Fixed reaction SMARTS indexing."
        },
        {
            "version": "4",
            "date": "2026-07-02",
            "contributors": [
                "AAAAAAAAAAAAAAAAAAAAAAAA"
            ],
            "reviewers": [
                "0000-0001-6534-6609"
            ],
            "comment": "Fixed retired UniProtKB accession with UniParc accession."
        }
    ],
    "enzyme": {
        "name": "VhaA",
        "description": "Flavin-dependent halogenase",
        "references": [
            "doi:10.1186/1471-2164-15-363",
            "doi:10.1039/D0CC07421G",
            "doi:10.1039/C4OB00474D"
        ],
        "databaseIds": {
            "uniprot": "UPI000003CAA4",
            "genpept": "AEI58871.1",
            "mibig": "BGC0000455"
        },
        "cofactors": {
            "organic": [
                "FAD"
            ]
        }
    },
    "reactions": [
        {
            "tailoring": [
                "Halogenation"
            ],
            "description": "Chlorinates bht 2 and bht 6 of vancomycin. The bond to the PCP domain of module 2 of the vancomycin NRPS might be important for the reaction. There is no study on the substrate specificity for the second chlorination reaction in vancomycin biosynthesis on bht 6 so far.",
            "reactionSMARTS": "[#6:3]-[#6:2](-[#6:1])-[#6:4]-[#6@@H:5](-[#7:6])-[#6:7](=[O:8])-[#7:9]-[#6@@H:10](-[#6:11]=[O:12])-[#6@@H:13](-[#8:14])-[c:15]1[c:22][c:20][c:18](-[#8:19])[c:17][c:16]1>>[#6:1]-[#6:2](-[#6:3])-[#6:4]-[#6@@H:5](-[#7:6])-[#6:7](=[O:8])-[#7:9]-[#6@@H:10](-[#6:11]=[O:12])-[#6@@H:13](-[#8:14])-[c:15]1[c:16][c:17][c:18](-[#8:19])[c:20]([Cl])[c:22]1",
            "reactions": [
                {
                    "substrate": "CC(C)C[C@@H](N)C(=O)N[C@@H](C=O)[C@@H](O)c1ccc(O)cc1",
                    "products": [
                        "CC(C)C[C@@H](N)C(=O)N[C@@H](C=O)[C@@H](O)c1ccc(O)c(Cl)c1"
                    ],
                    "isIntermediate": true
                }
            ],
            "evidence": {
                "evidenceCode": [
                    "Chemical probe"
                ],
                "references": [
                    "doi:10.1039/D0CC07421G"
                ]
            }
        }
    ]
}