{
    "accession": "MITE0000039",
    "status": "active",
    "changelog": [
        {
            "version": "1",
            "date": "2024-07-30",
            "contributors": [
                "0009-0008-7609-4484"
            ],
            "reviewers": [
                "0000-0001-6534-6609"
            ],
            "comment": "Initial entry. Reviewer 1 re-drew reaction SMARTS and SMILES to make them RDKit-compatible."
        },
        {
            "version": "2",
            "date": "2025-08-26",
            "contributors": [
                "AAAAAAAAAAAAAAAAAAAAAAAA"
            ],
            "reviewers": [
                "0000-0001-6534-6609"
            ],
            "comment": "Homogenized enzyme descriptions"
        },
        {
            "version": "3",
            "date": "2026-07-02",
            "contributors": [
                "AAAAAAAAAAAAAAAAAAAAAAAA"
            ],
            "reviewers": [
                "0000-0001-6534-6609"
            ],
            "comment": "Fixed retired UniProtKB accession with UniParc accession."
        }
    ],
    "enzyme": {
        "name": "Vmt",
        "description": "N-methyltransferase",
        "references": [
            "doi:10.1186/1471-2164-15-363"
        ],
        "databaseIds": {
            "uniprot": "UPI0001F73423",
            "genpept": "AEI58876.1",
            "mibig": "BGC0000455"
        }
    },
    "reactions": [
        {
            "tailoring": [
                "Methylation"
            ],
            "description": "Methylates the N-terminus of the vancomycin backbone. Substrate specificity not known in detail. SMARTS has been designed to be not too unspecific by accident. True substrate specificity might be broader than assumed here.",
            "reactionSMARTS": "[#7:1]/[#6@:2](-[#6:97]-[#6:98](-[#6:100])-[#6:99])-[#6:3](=[#8:96])-[#7:4]\\[#6@:5]1-[#6:94](=[#8:95])-[#7:93]-[#6@@:88](\\[#6:89]-[#6:90](-[#7:92])=[#8:91])-[#6:86](=[#8:87])-[#7:85]-[#6@:44]2-[#6:45](=[#8:84])-[#7:46]/[#6@:47]3-[#6:82](=[#8:83])-[#7:81]-[#6@@:70](-[#6@@:71](/[#8:80])-[#6:72]4:[#6:79]:[#6:77](-[Cl:78]):[#6:75](-[#8:76]-[#6:40]5:[#6:41]:[#6:42]/2:[#6:43]:[#6:16](:[#6:17]:5-[#8:18]\\[#6@:19]2-[#8:39]-[#6@:36](/[#6:37]-[#8:38])-[#6@@:34](\\[#8:35])-[#6@:32](/[#8:33])-[#6@:20]-2\\[#8:21]\\[#6@:22]2-[#6:31]-[#6@:28](-[#6:30])(/[#7:29])-[#6@:26](/[#8:27])-[#6@:24](/[#6:25])-[#8:23]-2)-[#8:15]-[#6:12]2:[#6:13]:[#6:14]:[#6:8](:[#6:9]:[#6:10]:2-[Cl:11])-[#6@@:6]-1/[#8:7]):[#6:74]:[#6:73]:4)/[#6:68](=[#8:69])-[#7:67]-[#6@:63](/[#6:64](=[#8:66])-[#8:65])-[#6:56]1:[#6:57]:[#6:58](-[#8:62]):[#6:59]:[#6:60](-[#8:61]):[#6:55]:1-[#6:53]1:[#6:54]:[#6:48]-3:[#6:49]:[#6:50]:[#6:51]:1-[#8:52]>>[#7:1](/[#6@@:2](-[#6:3](-[#7:4]\\[#6@@:5]1-[#6@@:6](/[#8:7])-[#6:8]2:[#6:9]:[#6:10](-[Cl:11]):[#6:12](:[#6:13]:[#6:14]:2)-[#8:15]-[#6:16]2:[#6:17](-[#8:18]\\[#6@@:19]3-[#6@:20](\\[#8:21]\\[#6@@:22]4-[#8:23]-[#6@@:24](/[#6:25])-[#6@@:26](/[#8:27])-[#6@:28](-[#7:29])(\\[#6:30])-[#6:31]-4)-[#6@@:32](/[#8:33])-[#6@:34](\\[#8:35])-[#6@@:36](/[#6:37]-[#8:38])-[#8:39]-3):[#6:40]3:[#6:41]:[#6:42](:[#6:43]:2)-[#6@:44](-[#6:45](-[#7:46]\\[#6@@:47]2-[#6:48]4:[#6:49]:[#6:50]:[#6:51](-[#8:52]):[#6:53](:[#6:54]:4)-[#6:55]4:[#6:56](:[#6:57]:[#6:58](:[#6:59]:[#6:60]:4-[#8:61])-[#8:62])-[#6@@:63](\\[#6:64](-[#8:65])=[#8:66])-[#7:67]-[#6:68](=[#8:69])-[#6@:70](-[#6@:71](-[#6:72]4:[#6:73]:[#6:74]:[#6:75](-[#8:76]-3):[#6:77](-[Cl:78]):[#6:79]:4)\\[#8:80])\\[#7:81]-[#6:82]-2=[#8:83])=[#8:84])\\[#7:85]-[#6:86](=[#8:87])-[#6@:88](\\[#6:89]-[#6:90](=[#8:91])-[#7:92])-[#7:93]-[#6:94]-1=[#8:95])=[#8:96])-[#6:97]-[#6:98](-[#6:100])-[#6:99])-[#6]",
            "reactions": [
                {
                    "substrate": "CC(C)C[C@@H](N)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@@H]1O",
                    "products": [
                        "CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@@H]1O"
                    ],
                    "isIntermediate": false,
                    "description": "Reaction from demethyl-vancomycin to vancomycin."
                }
            ],
            "evidence": {
                "evidenceCode": [
                    "In vitro assay"
                ],
                "references": [
                    "doi:10.1186/1471-2164-15-363"
                ]
            }
        },
        {
            "tailoring": [
                "Methylation"
            ],
            "description": "Substrate specificity not known in detail. SMARTS has been designed to be not too unspecific by accident. True substrate specificity might be broader than assumed here.",
            "reactionSMARTS": "[#7:1]/[#6@:2](-[#6:97]-[#6:98](-[#6:100])-[#6:99])-[#6:3](=[#8:96])-[#7:4]\\[#6@:5]1-[#6:94](=[#8:95])-[#7:93]-[#6@@:88](\\[#6:89]-[#6:90](-[#7:92])=[#8:91])-[#6:86](=[#8:87])-[#7:85]-[#6@:44]2-[#6:45](=[#8:84])-[#7:46]/[#6@:47]3-[#6:82](=[#8:83])-[#7:81]-[#6@@:70](-[#6@@:71](/[#8:80])-[#6:72]4:[#6:79]:[#6:77](-[Cl:78]):[#6:75](-[#8:76]-[#6:40]5:[#6:41]:[#6:42]/2:[#6:43]:[#6:16](:[#6:17]:5-[#8:18]\\[#6@:19]2-[#8:39]-[#6@:36](/[#6:37]-[#8:38])-[#6@@:34](\\[#8:35])-[#6@:32](/[#8:33])-[#6@:20]-2\\[#8:21]\\[#6@:22]2-[#6:31]-[#6@:28](-[#6:30])(/[#7:29])-[#6@:26](/[#8:27])-[#6@:24](/[#6:25])-[#8:23]-2)-[#8:15]-[#6:12]2:[#6:13]:[#6:14]:[#6:8](:[#6:9]:[#6:10]:2-[Cl:11])-[#6@@:6]-1/[#8:7]):[#6:74]:[#6:73]:4)/[#6:68](=[#8:69])-[#7:67]-[#6@:63](/[#6:64](=[#8:66])-[#8:65])-[#6:56]1:[#6:57]:[#6:58](-[#8:62]):[#6:59]:[#6:60](-[#8:61]):[#6:55]:1-[#6:53]1:[#6:54]:[#6:48]-3:[#6:49]:[#6:50]:[#6:51]:1-[#8:52]>>[#7:1](-[#6])(/[#6@@:2](-[#6:3](-[#7:4]\\[#6@@:5]1-[#6@@:6](/[#8:7])-[#6:8]2:[#6:9]:[#6:10](-[Cl:11]):[#6:12](:[#6:13]:[#6:14]:2)-[#8:15]-[#6:16]2:[#6:17](-[#8:18]\\[#6@@:19]3-[#6@:20](\\[#8:21]\\[#6@@:22]4-[#8:23]-[#6@@:24](/[#6:25])-[#6@@:26](/[#8:27])-[#6@:28](-[#7:29])(\\[#6:30])-[#6:31]-4)-[#6@@:32](/[#8:33])-[#6@:34](\\[#8:35])-[#6@@:36](/[#6:37]-[#8:38])-[#8:39]-3):[#6:40]3:[#6:41]:[#6:42](:[#6:43]:2)-[#6@:44](-[#6:45](-[#7:46]\\[#6@@:47]2-[#6:48]4:[#6:49]:[#6:50]:[#6:51](-[#8:52]):[#6:53](:[#6:54]:4)-[#6:55]4:[#6:56](:[#6:57]:[#6:58](:[#6:59]:[#6:60]:4-[#8:61])-[#8:62])-[#6@@:63](\\[#6:64](-[#8:65])=[#8:66])-[#7:67]-[#6:68](=[#8:69])-[#6@:70](-[#6@:71](-[#6:72]4:[#6:73]:[#6:74]:[#6:75](-[#8:76]-3):[#6:77](-[Cl:78]):[#6:79]:4)\\[#8:80])\\[#7:81]-[#6:82]-2=[#8:83])=[#8:84])\\[#7:85]-[#6:86](=[#8:87])-[#6@:88](\\[#6:89]-[#6:90](=[#8:91])-[#7:92])-[#7:93]-[#6:94]-1=[#8:95])=[#8:96])-[#6:97]-[#6:98](-[#6:100])-[#6:99])-[#6]",
            "reactions": [
                {
                    "substrate": "CC(C)C[C@@H](N)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@@H]1O",
                    "products": [
                        "CC(C)C[C@H](C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@@H]1O)N(C)C"
                    ],
                    "isIntermediate": false,
                    "description": "Reaction from demethyl-vancomycin to dimethyl-vancomycin. Vancomycin is usually only monomethylated."
                }
            ],
            "evidence": {
                "evidenceCode": [
                    "In vitro assay"
                ],
                "references": [
                    "doi:10.1186/1471-2164-15-363"
                ]
            }
        }
    ]
}