{
    "accession": "MITE0000403",
    "status": "active",
    "comment": "Single chlorination of the early intermediate Hydroxymethylglutaryl (HMG) in the curacin A pathway. HMG is thioesterified to an acyl carrier protein (ACP). Stereochemistry could not be depicted due to incompatibility with validation engine.",
    "changelog": [
        {
            "version": "1",
            "date": "2026-06-18",
            "contributors": [
                "0009-0000-8651-1669"
            ],
            "reviewers": [
                "0000-0001-6534-6609"
            ],
            "comment": "New entry. Reviewer 1 updated general comment."
        }
    ],
    "enzyme": {
        "name": "CurA",
        "description": "Non-heme halogenase",
        "references": [
            "doi:10.1073/pnas.1006738107"
        ],
        "databaseIds": {
            "uniprot": "Q6DNF2",
            "genpept": "AAT70096.1",
            "mibig": "BGC0001165"
        },
        "cofactors": {
            "organic": [
                "a-Ketoglutaric acid"
            ],
            "inorganic": [
                "Fe"
            ]
        }
    },
    "reactions": [
        {
            "tailoring": [
                "Halogenation"
            ],
            "description": "Single Chlorination of Hydroxymethylglutaryl through conformational switch driven by \u03b1-ketoglutaric acid.",
            "reactionSMARTS": "[#6:1](-[#6:7](-[#16:9]-[*])=[#8:8])-[#6:2](-[#6:12])(-[#8:11])-[#6:3]-[#6:4](=[#8:6])-[#8:5]>>[#6:1](-[#6:7](-[#16:9]-[*])=[#8:8])-[#6:2](-[#6:12])(-[#8:11])-[#6:3](-[Cl])-[#6:4](=[#8:6])-[#8:5]",
            "reactions": [
                {
                    "substrate": "*SC(=O)CC(C)(O)CC(=O)O",
                    "products": [
                        "*SC(=O)CC(C)(O)C(Cl)C(=O)O"
                    ],
                    "isIntermediate": false,
                    "description": "Single C4-chlorination of hydroxymethylglutaryl."
                }
            ],
            "evidence": {
                "evidenceCode": [
                    "Heterologous expression",
                    "In vitro assay"
                ],
                "references": [
                    "doi:10.1073/pnas.1006738107"
                ]
            }
        }
    ]
}