{
    "accession": "MITE0000192",
    "status": "active",
    "changelog": [
        {
            "version": "1",
            "date": "2024-12-02",
            "contributors": [
                "0000-0001-6406-4394"
            ],
            "reviewers": [
                "0000-0002-9747-3423",
                "0000-0002-8323-5416"
            ],
            "comment": "Initial entry. Reviewer 1 checked for factual correctness, Database ID crosslinks verified, added where possible"
        },
        {
            "version": "2",
            "date": "2025-07-25",
            "contributors": [
                "AAAAAAAAAAAAAAAAAAAAAAAA"
            ],
            "reviewers": [
                "0000-0003-4819-2251"
            ],
            "comment": "Added cofactor information"
        }
    ],
    "enzyme": {
        "name": "CtoA",
        "description": "Halogenase",
        "references": [
            "doi:10.1021/acschembio.5b00523"
        ],
        "databaseIds": {
            "uniprot": "A0A0M4KXQ6",
            "genpept": "ALD83700.1",
            "mibig": "BGC0001299"
        },
        "cofactors": {
            "organic": [
                "FAD"
            ]
        }
    },
    "reactions": [
        {
            "tailoring": [
                "Halogenation"
            ],
            "description": "Dichlorination of chlorotonil precursor.",
            "reactionSMARTS": "[#6:1]-[#6:2]1-[#6:29]-[#6@@:28]2-[#6@:6](-[#6@:7]3-[#6@@:25](\\[#6:26]=[#6:27]\\2)-[#6@:23](\\[#6:24])-[#6:22]=[#6:21]-[#6:20]=[#6:19]-[#6@:17](/[#6:18])-[#8:16]-[#6:14](=[#8:15])-[#6:13]-[#6:11](=[#8:12])-[#6:10]-[#6:8]\\3=[#8:9])/[#6@:4](/[#6:5])-[#6:3]=1>>[#6:1]-[#6:2]1-[#6:29]-[#6@@:28]2-[#6@:6](-[#6@:7]3-[#6@@:25](\\[#6:26]=[#6:27]\\2)-[#6@:23](\\[#6:24])-[#6:22]=[#6:21]-[#6:20]=[#6:19]-[#6@:17](/[#6:18])-[#8:16]-[#6:14](=[#8:15])-[#6:13]-[#6:11](=[#8:12])-[#6:10](-[Cl])(-[Cl])-[#6:8]\\3=[#8:9])/[#6@:4](/[#6:5])-[#6:3]=1",
            "reactions": [
                {
                    "substrate": "CC1=C[C@@H](C)[C@H]2[C@@H]3C(=O)CC(=O)CC(=O)O[C@@H](C)C=CC=C[C@@H](C)[C@@H]3C=C[C@@H]2C1",
                    "products": [
                        "CC1=C[C@@H](C)[C@H]2[C@@H]3C(=O)C(Cl)(Cl)C(=O)CC(=O)O[C@@H](C)C=CC=C[C@@H](C)[C@@H]3C=C[C@@H]2C1"
                    ],
                    "isIntermediate": true,
                    "description": "Dichlorenation of chlorotonil A precursor. Requires an unmethylated C2."
                }
            ],
            "evidence": {
                "evidenceCode": [
                    "Inference from genomic data and chemical structure"
                ],
                "references": [
                    "doi:10.1021/acschembio.5b00523"
                ]
            }
        },
        {
            "tailoring": [
                "Halogenation"
            ],
            "description": "Dichlorination of chlorotonil precursor.",
            "reactionSMARTS": "[#6:1]-[#6:2]1-[#6:29]-[#6@@:28]2-[#6@:6](-[#6@:7]3-[#6@@:25](\\[#6:26]=[#6:27]\\2)-[#6@:23](\\[#6:24])-[#6:22]=[#6:21]-[#6:20]=[#6:19]-[#6@:17](/[#6:18])-[#8:16]-[#6:14](=[#8:15])-[#6:13]-[#6:11](=[#8:12])-[#6:10]=[#6:8]\\3-[#8:9])/[#6@:4](/[#6:5])-[#6:3]=1>>[#6:1]-[#6:2]1-[#6:29]-[#6@@:28]2-[#6@:6](-[#6@:7]3-[#6@@:25](\\[#6:26]=[#6:27]\\2)-[#6@:23](\\[#6:24])-[#6:22]=[#6:21]-[#6:20]=[#6:19]-[#6@:17](/[#6:18])-[#8:16]-[#6:14](=[#8:15])-[#6:13]-[#6:11](=[#8:12])-[#6:10](-[Cl])(-[Cl])-[#6:8]\\3=[#8:9])/[#6@:4](/[#6:5])-[#6:3]=1",
            "reactions": [
                {
                    "substrate": "CC1=C[C@@H](C)[C@H]2[C@@H]3C(O)=CC(=O)CC(=O)O[C@@H](C)C=CC=C[C@@H](C)[C@@H]3C=C[C@@H]2C1",
                    "products": [
                        "CC1=C[C@@H](C)[C@H]2[C@@H]3C(=O)C(Cl)(Cl)C(=O)CC(=O)O[C@@H](C)C=CC=C[C@@H](C)[C@@H]3C=C[C@@H]2C1"
                    ],
                    "isIntermediate": true,
                    "description": "Dichlorenation of chlorotonil A precursor. Requires an unmethylated C2."
                }
            ],
            "evidence": {
                "evidenceCode": [
                    "Inference from genomic data and chemical structure"
                ],
                "references": [
                    "doi:10.1021/acschembio.5b00523"
                ]
            }
        },
        {
            "tailoring": [
                "Halogenation"
            ],
            "description": "Dichlorination of chlorotonil precursor.",
            "reactionSMARTS": "[#6:1]-[#6:2]1-[#6:29]-[#6@@:28]2-[#6@:6](-[#6@:7]3-[#6@@:25](\\[#6:26]=[#6:27]\\2)-[#6@:23](\\[#6:24])-[#6:22]=[#6:21]-[#6:20]=[#6:19]-[#6@:17](/[#6:18])-[#8:16]-[#6:14](=[#8:15])-[#6:13]-[#6:11](-[#8:12])=[#6:10]-[#6:8]\\3=[#8:9])/[#6@:4](/[#6:5])-[#6:3]=1>>[#6:1]-[#6:2]1-[#6:29]-[#6@@:28]2-[#6@:6](-[#6@:7]3-[#6@@:25](\\[#6:26]=[#6:27]\\2)-[#6@:23](\\[#6:24])-[#6:22]=[#6:21]-[#6:20]=[#6:19]-[#6@:17](/[#6:18])-[#8:16]-[#6:14](=[#8:15])-[#6:13]-[#6:11](=[#8:12])-[#6:10](-[Cl])(-[Cl])-[#6:8]\\3=[#8:9])/[#6@:4](/[#6:5])-[#6:3]=1",
            "reactions": [
                {
                    "substrate": "CC1=C[C@@H](C)[C@H]2[C@@H]3C(=O)C=C(O)CC(=O)O[C@@H](C)C=CC=C[C@@H](C)[C@@H]3C=C[C@@H]2C1",
                    "products": [
                        "CC1=C[C@@H](C)[C@H]2[C@@H]3C(=O)C(Cl)(Cl)C(=O)CC(=O)O[C@@H](C)C=CC=C[C@@H](C)[C@@H]3C=C[C@@H]2C1"
                    ],
                    "isIntermediate": true,
                    "description": "Dichlorenation of chlorotonil A precursor. Requires an unmethylated C2."
                }
            ],
            "evidence": {
                "evidenceCode": [
                    "Inference from genomic data and chemical structure"
                ],
                "references": [
                    "doi:10.1021/acschembio.5b00523"
                ]
            }
        }
    ]
}