{
    "accession": "MITE0000404",
    "status": "active",
    "comment": "\u03b3-halogenation of a carrierbound-S-alloisoleucine (CMA-S-CmaD) as intermediate product for cyclopropyl amino acid biosynthesis through CmaC",
    "changelog": [
        {
            "version": "1",
            "date": "2026-06-18",
            "contributors": [
                "0009-0000-8651-1669"
            ],
            "reviewers": [
                "0000-0001-6534-6609"
            ],
            "comment": "New entry. Replaced chiral structures with flat ones due to validation engine incompatibility."
        }
    ],
    "enzyme": {
        "name": "CmaB",
        "description": "Non-heme halogenase",
        "references": [
            "doi:10.1038/nature03797"
        ],
        "databaseIds": {
            "uniprot": "Q87W55",
            "genpept": "AAO58149.1"
        },
        "cofactors": {
            "organic": [
                "a-Ketoglutaric acid"
            ],
            "inorganic": [
                "Fe"
            ]
        }
    },
    "reactions": [
        {
            "tailoring": [
                "Halogenation"
            ],
            "description": "Chlorination of CMA-S-CmaD",
            "reactionSMARTS": "*-[#16]-[#6](-[#6](-[#6](-[#6]-[#6])-[#6])-[#7])=[#8]>>[*,H]-[#16]-[#6](-[#6](-[#6](-[#6]-[Cl])-[#6]-[#6])-[#7])=[#8]",
            "reactions": [
                {
                    "substrate": "*SC(=O)C(N)C(C)CC",
                    "products": [
                        "*SC(=O)C(N)C(CC)CCl"
                    ],
                    "isIntermediate": true,
                    "description": "Single chlorination of CMA thioester"
                }
            ],
            "evidence": {
                "evidenceCode": [
                    "Heterologous expression",
                    "In vitro assay"
                ],
                "references": [
                    "doi:10.1038/nature03797"
                ]
            }
        }
    ]
}