{
    "accession": "MITE0000006",
    "status": "active",
    "changelog": [
        {
            "version": "1",
            "date": "2024-07-30",
            "contributors": [
                "0000-0003-3002-6458",
                "0000-0002-9747-3423"
            ],
            "reviewers": [
                "0000-0001-6534-6609"
            ],
            "comment": "Initial entry. Reviewer 1 replaced wildcards with actual coenzyme structures"
        },
        {
            "version": "2",
            "date": "2025-07-25",
            "contributors": [
                "AAAAAAAAAAAAAAAAAAAAAAAA"
            ],
            "reviewers": [
                "0000-0001-6534-6609"
            ],
            "comment": "Added cofactor information"
        }
    ],
    "enzyme": {
        "name": "CalO6",
        "description": "O-methyltransferase",
        "references": [
            "doi:10.1002/cbic.201402119"
        ],
        "databaseIds": {
            "uniprot": "Q8KND2",
            "genpept": "AAM70356.1",
            "mibig": "BGC0000033"
        },
        "cofactors": {
            "inorganic": [
                "FeS"
            ],
            "organic": [
                "SAM"
            ]
        }
    },
    "reactions": [
        {
            "tailoring": [
                "Methylation"
            ],
            "description": "O-methylation of orsellenic acid, assumed to be bound to coenzyme A cofactor",
            "reactionSMARTS": "[#6:1](-[#16:48]-[#6:49](-[#6:51]1:[#6:58](-[#8:59]):[#6:57]:[#6:55](-[#8:56]):[#6:54]:[#6:52]:1-[#6:53])=[#8:50])-[#6:2]-[#7:3]-[#6:4](-[#6:6]-[#6:7]-[#7:8]-[#6:9](-[#6@@:11](-[#6:13](-[#6:16]-[#8:17]-[#15:18](-[#8:21]-[#15:22](-[#8:25]-[#6:26]/[#6@@:27]1-[#6@@:42](\\[#8:43]-[#15:44](-[#8:47])(-[#8:46])=[#8:45])-[#6@@:40](\\[#8:41])-[#6@:29](/[#7:30]2:[#6:39]3:[#6:33](:[#6:34](:[#7:36]:[#6:37]:[#7:38]:3)-[#7:35]):[#7:32]:[#6:31]:2)-[#8:28]-1)(-[#8:24])=[#8:23])(-[#8:20])=[#8:19])(-[#6:15])-[#6:14])/[#8:12])=[#8:10])=[#8:5]>>[#6:1](-[#16:48]-[#6:49](-[#6:51]1:[#6:58](-[#8:59]-[#6]):[#6:57]:[#6:55](-[#8:56]):[#6:54]:[#6:52]:1-[#6:53])=[#8:50])-[#6:2]-[#7:3]-[#6:4](-[#6:6]-[#6:7]-[#7:8]-[#6:9](-[#6@@:11](-[#6:13](-[#6:16]-[#8:17]-[#15:18](-[#8:21]-[#15:22](-[#8:25]-[#6:26]/[#6@@:27]1-[#6@@:42](\\[#8:43]-[#15:44](-[#8:46])(-[#8:47])=[#8:45])-[#6@@:40](\\[#8:41])-[#6@:29](/[#7:30]2:[#6:39]3:[#6:33](:[#6:34](:[#7:36]:[#6:37]:[#7:38]:3)-[#7:35]):[#7:32]:[#6:31]:2)-[#8:28]-1)(-[#8:24])=[#8:23])(-[#8:20])=[#8:19])(-[#6:15])-[#6:14])/[#8:12])=[#8:10])=[#8:5]",
            "reactions": [
                {
                    "substrate": "Cc1cc(O)cc(O)c1C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O",
                    "products": [
                        "COc1cc(O)cc(C)c1C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O"
                    ],
                    "isIntermediate": true,
                    "description": "Bound via thioester to coenzyme A"
                }
            ],
            "evidence": {
                "evidenceCode": [
                    "In vitro assay"
                ],
                "references": [
                    "doi:10.1002/cbic.201402119"
                ]
            }
        },
        {
            "tailoring": [
                "Methylation"
            ],
            "description": "O-methylation of orsellenic acid, assumed to be bound to 4'-phosphopantetheine cofactor",
            "reactionSMARTS": "[#6:1](-[#16:32]-[#6:31]-[#6:30]-[#7:29]-[#6:27](=[#8:28])-[#6:26]-[#6:25]-[#7:24]-[#6:22](=[#8:23])-[#6@:21](/[#8:33])-[#6:13](-[#6:15]-[#8:16]-[#15:17](-[#8:20])(-[#8:19])=[#8:18])(-[#6:14])-[#6:12])(-[#6:3]1:[#6:10](-[#8:11]):[#6:9]:[#6:7](-[#8:8]):[#6:6]:[#6:4]:1-[#6:5])=[#8:2]>>[#6:1](-[#16:32]-[#6:31]-[#6:30]-[#7:29]-[#6:27](=[#8:28])-[#6:26]-[#6:25]-[#7:24]-[#6:22](=[#8:23])-[#6@:21](/[#8:33])-[#6:13](-[#6:15]-[#8:16]-[#15:17](-[#8:20])(-[#8:19])=[#8:18])(-[#6:14])-[#6:12])(-[#6:3]1:[#6:10](-[#8:11]-[#6]):[#6:9]:[#6:7](-[#8:8]):[#6:6]:[#6:4]:1-[#6:5])=[#8:2]",
            "reactions": [
                {
                    "substrate": "Cc1cc(O)cc(O)c1C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)O",
                    "products": [
                        "COc1cc(O)cc(C)c1C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)O"
                    ],
                    "isIntermediate": true,
                    "description": "Bound via thioester to 4'-phosphopantetheine (acyl carrier protein prosthetic group)"
                }
            ],
            "evidence": {
                "evidenceCode": [
                    "In vitro assay"
                ],
                "references": [
                    "doi:10.1002/cbic.201402119"
                ]
            }
        }
    ]
}