{
    "accession": "MITE0000050",
    "status": "active",
    "changelog": [
        {
            "version": "1",
            "date": "2024-07-30",
            "contributors": [
                "0000-0001-6534-6609"
            ],
            "reviewers": [
                "0000-0001-6406-4394"
            ],
            "comment": "Initial entry. Reviewer 1 supplemented description of known reaction to include measured increased enzyme activity in presence of Cobalt(II)."
        },
        {
            "version": "2",
            "date": "2025-07-25",
            "contributors": [
                "AAAAAAAAAAAAAAAAAAAAAAAA"
            ],
            "reviewers": [
                "0000-0001-6534-6609"
            ],
            "comment": "Added cofactor information"
        }
    ],
    "enzyme": {
        "name": "BotAH",
        "description": "Aminohydrolase",
        "references": [
            "doi:10.1021/jacs.8b12231",
            "doi:10.1039/d0np00097c"
        ],
        "databaseIds": {
            "uniprot": "K4MV58",
            "genpept": "AFV25486.1",
            "mibig": "BGC0000469"
        },
        "cofactors": {
            "inorganic": [
                "Zn"
            ]
        }
    },
    "reactions": [
        {
            "tailoring": [
                "Hydrolysis"
            ],
            "description": "Cleaves modified bottromycin precursor peptide between thiazole8 and Met9.",
            "reactionSMARTS": "[#6:1]-[#6:2](-[#6:3])-[#6@@H:4]1-[#7:5]-[#6:6](=[O:7])-[#6@H:8](-[#6:9])-[#7:10]-[#6:11](=[O:12])-[#6@H:13](-[#6:14])-[#7:15]-[#6:16](=[O:17])-[#6:18]-[#7:19]\\[#6:20]-1=[#7:21]/[#6@@H:22](-[#6:23])-[#6:24](=[O:25])-[#7:26]-[#6@@H:27](-[#6:28])-[#6:29](=[O:30])-[#7:31]-[#6@@H:32](-[#6:33])-[#6:34]-1=[#7:35]-[#6@@H:36](-[#6:37]-[#16:38]-1)-[#6:39](=[O:40])-[#7:41]-[#6@@H:42](-[#6:43])-[#6:44](=[O:45])-[#7:46]-[#6@@H:47](-[#6:48])-[#6:49](=[O:50])-[#7:51]-[#6@@H:52](-[#6:53])-[#6:54](=[O:55])-[#7:56]-[#6@@H:57](-[#6:58])-[#6:59]=[O:60]>>[#6:1]-[#6:2](-[#6:3])-[#6@@H:4]1-[#7:5]-[#6:6](=[O:7])-[#6@H:8](-[#6:9])-[#7:10]-[#6:11](=[O:12])-[#6@H:13](-[#6:14])-[#7:15]-[#6:16](=[O:17])-[#6:18]-[#7:19]\\[#6:20]-1=[#7:21]/[#6@@H:22](-[#6:23])-[#6:24](=[O:25])-[#7:26]-[#6@@H:27](-[#6:28])-[#6:29](=[O:30])-[#7:31]-[#6@@H:32](-[#6:33])-[#6:34]-1=[#7:35]-[#6@@H:36](-[#6:37]-[#16:38]-1)-[#6:39](-[#8:40])=[O:41]",
            "reactions": [
                {
                    "substrate": "CSCC[C@H](NC(=O)[C@@H]1CSC([C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](/N=C2\\NCC(=O)N3CC[C@H](C)[C@H]3C(=O)N[C@@H](C(C)C)C(=O)N[C@H]2C(C)(C)C)C(C)(C)C)[C@@H](C)c2ccccc2)=N1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)[C@@H](C)O",
                    "products": [
                        "CC(C)[C@@H]1NC(=O)[C@@H]2[C@@H](C)CCN2C(=O)CN/C(=N\\[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C2=N[C@H](C(=O)O)CS2)[C@@H](C)c2ccccc2)C(C)(C)C)[C@H](C(C)(C)C)NC1=O"
                    ],
                    "isIntermediate": true,
                    "description": "bottromycin A2-precursor peptide after methylation, hetero- and macrocyclization. Higher activity of enzyme measured in presence of Cobalt(II)."
                }
            ],
            "evidence": {
                "evidenceCode": [
                    "Heterologous expression"
                ],
                "references": [
                    "doi:10.1021/jacs.8b12231"
                ]
            }
        }
    ]
}