{
    "accession": "MITE0000127",
    "status": "active",
    "comment": "Catalyzes the dibromination of 5-bromoindole on the 3rd then on the 2nd position (doesn't act on tryptophan)",
    "changelog": [
        {
            "version": "1",
            "date": "2024-07-30",
            "contributors": [
                "0009-0006-9871-5187",
                "AAAAAAAAAAAAAAAAAAAAAAAA"
            ],
            "reviewers": [
                "0000-0001-6534-6609",
                "0000-0003-0443-9902"
            ],
            "comment": "Initial entry. Reviewer 1 partially fixed reactionSMARTS:reactionSMARTS, validation still not passing. Reviewer 1 determined the entry as unfixable (multiple reactions). Reviewer 2 broke up multi-reaction into two distinct ones."
        },
        {
            "version": "2",
            "date": "2025-07-25",
            "contributors": [
                "AAAAAAAAAAAAAAAAAAAAAAAA"
            ],
            "reviewers": [
                "0000-0001-6534-6609"
            ],
            "comment": "Added cofactor information"
        }
    ],
    "enzyme": {
        "name": "AetA",
        "description": "Flavin-dependent halogenase",
        "references": [
            "doi:10.1021/jacs.1c12778"
        ],
        "databaseIds": {
            "uniprot": "A0A861B8S3",
            "genpept": "QNL15171.1",
            "mibig": "BGC0002643"
        },
        "cofactors": {
            "organic": [
                "FAD"
            ]
        }
    },
    "reactions": [
        {
            "tailoring": [
                "Halogenation"
            ],
            "description": "Bromination of 5-bromoindole, leading to 3,5-tribromoindole",
            "reactionSMARTS": "[#6:1](-[Br:10])1:[#6:9]:[#6:8]2:[#6:4](:[#7:5]:[#6:6]:[#6:7]:2):[#6:3]:[#6:2]:1>>[#6:1](-[Br:10])1:[#6:9]:[#6:8]2:[#6:4](:[#7:5]:[#6:6]:[#6:7](-[Br]):2):[#6:3]:[#6:2]:1",
            "reactions": [
                {
                    "substrate": "Brc1ccc2[nH]ccc2c1",
                    "products": [
                        "Brc1ccc2[nH]cc(Br)c2c1"
                    ],
                    "isIntermediate": false
                }
            ],
            "evidence": {
                "evidenceCode": [
                    "In vitro assay"
                ],
                "references": [
                    "doi:10.1021/jacs.1c12778"
                ]
            }
        },
        {
            "tailoring": [
                "Halogenation"
            ],
            "description": "Bromination of 3,5-bromoindole, leading to 2,3,5-tribromoindole",
            "reactionSMARTS": "[#6:1](-[Br:10])1:[#6:9]:[#6:8]2:[#6:4](:[#7:5]:[#6:6]:[#6:7](-[Br:11]):2):[#6:3]:[#6:2]:1>>[#6:1](-[Br:10])1:[#6:9]:[#6:8]2:[#6:4](:[#7:5]:[#6:6](-[Br:12]):[#6:7](-[Br:11]):2):[#6:3]:[#6:2]:1",
            "reactions": [
                {
                    "substrate": "Brc1ccc2[nH]cc(Br)c2c1",
                    "products": [
                        "Brc1ccc2[nH]c(Br)c(Br)c2c1"
                    ],
                    "isIntermediate": false
                }
            ],
            "evidence": {
                "evidenceCode": [
                    "In vitro assay"
                ],
                "references": [
                    "doi:10.1021/jacs.1c12778"
                ]
            }
        }
    ]
}