{
    "accession": "MITE0000101",
    "status": "active",
    "comment": "Atom number nine (in the SMARTS reaction) could be methylated, then this reaction leads to the final product",
    "changelog": [
        {
            "version": "1",
            "date": "2024-07-30",
            "contributors": [
                "0000-0003-3002-6458",
                "0000-0001-7044-2419"
            ],
            "reviewers": [
                "0000-0001-6534-6609",
                "0000-0003-0443-9902"
            ],
            "comment": "Initial entry. Reviewer partially fixed reactionSMARTS:reactionSMARTS, validation still not passing. Reviewer 2 fixed reaction SMARTS by specifying explicit hydrogen of aromatic nitrogen and the explicit valence of Carbon nr 14 (zero hydrogen)"
        },
        {
            "version": "2",
            "date": "2025-07-25",
            "contributors": [
                "AAAAAAAAAAAAAAAAAAAAAAAA"
            ],
            "reviewers": [
                "0000-0001-6534-6609"
            ],
            "comment": "Added cofactor information"
        }
    ],
    "enzyme": {
        "name": "Cxm5",
        "description": "Cytochrome P450",
        "references": [
            "doi:10.1016/j.apsb.2017.07.005"
        ],
        "databaseIds": {
            "uniprot": "A0A290YXM6",
            "genpept": "AVL27080.1",
            "mibig": "BGC0001485"
        },
        "cofactors": {
            "inorganic": [
                "Fe"
            ],
            "organic": [
                "Heme"
            ]
        }
    },
    "reactions": [
        {
            "tailoring": [
                "Heterocyclization"
            ],
            "reactionSMARTS": "[#8:1]=[#6:2](-[#6:4](-[#6:6]-[#6:7]1:[#6:15]2:[#6:10](:[#6:11]:[#6:12]:[#6:13]:[#6:14]:2):[nH:9]:[#6:8]:1)-[#16:5])-[#8:3]>>[#8:1]=[#6:2](-[#6:4]1-[#16:5]-[#6&H0:14]2:[#6:15]3:[#6:10](:[#6:11]:[#6:12]:[#6:13]:2):[nH:9]:[#6:8]:[#6:7]:3-[#6:6]-1)-[#8:3]",
            "reactions": [
                {
                    "substrate": "O=C(O)C(S)Cc1c[nH]c2ccccc12",
                    "products": [
                        "O=C(O)C1Cc2c[nH]c3cccc(c23)S1"
                    ],
                    "isIntermediate": true
                }
            ],
            "evidence": {
                "evidenceCode": [
                    "Knock-out studies"
                ],
                "references": [
                    "doi:10.1016/j.apsb.2017.07.005"
                ]
            }
        }
    ]
}