{
    "accession": "MITE0000054",
    "status": "active",
    "changelog": [
        {
            "version": "1",
            "date": "2024-07-30",
            "contributors": [
                "0000-0001-6534-6609"
            ],
            "reviewers": [
                "0000-0001-6534-6609",
                "0000-0002-9747-3423"
            ],
            "comment": "Initial entry. Reworked reaction SMARTS to have proper numbering. Reviewer "
        },
        {
            "version": "2",
            "date": "2025-07-25",
            "contributors": [
                "AAAAAAAAAAAAAAAAAAAAAAAA"
            ],
            "reviewers": [
                "0000-0002-9747-3423"
            ],
            "comment": "Added cofactor information"
        }
    ],
    "enzyme": {
        "name": "MibH",
        "description": "Flavin-dependent halogenase",
        "references": [
            "doi:10.1021/acschembio.6b01031"
        ],
        "databaseIds": {
            "uniprot": "E2IHC5",
            "genpept": "ADK32563.1",
            "mibig": "BGC0000529"
        },
        "auxiliaryEnzymes": [
            {
                "name": "MibS",
                "description": "Flavin reductase providing FADH2 supply for chlorination",
                "databaseIds": {
                    "uniprot": "E2IHC6",
                    "genpept": "ADK32564.1"
                }
            }
        ],
        "cofactors": {
            "organic": [
                "FAD"
            ]
        }
    },
    "reactions": [
        {
            "tailoring": [
                "Halogenation"
            ],
            "description": "Flavin-dependent tryptophan-5-halogenase catalyzed halogenation reaction of deschloro-microbisporicin A2",
            "reactionSMARTS": "[#6:1]=[#6:2]1-[#6:150](=[#8:151])-[#7:149]-[#6:144](-[#6:145]-[#6:146](-[#6:148])-[#6:147])-[#6:142](=[#8:143])-[#7:141]-[#6:38](-[#6:39](-[#7:41]-[#6:42]2-[#6:139](-[#6:140])-[#16:138]-[#6:137]-[#6:57](-[#6:58](-[#7:60]-[#6:61](-[#6:134](-[#8:136])-[#6:135])-[#6:62](-[#7:64]-[#6:65]3-[#6:132](=[#8:133])-[#7:131]4-[#6:126](-[#6:127](-[#6:129](-[#8:152])-[#6:130]-4)-[#8:128])-[#6:124](=[#8:125])-[#7:123]-[#6:122]-[#6:120](=[#8:121])-[#7:119]-[#6:118]-[#6:116](=[#8:117])-[#7:115]-[#6:114]-[#6:112](=[#8:113])-[#7:111]-[#6:81]4-[#6:82]-[#16:83]-[#6:84]-[#6:85]5-[#6:106](=[#8:107])-[#7:105]-[#6:104]=[#6:103]-[#16:102]-[#6:101]-[#6:100](-[#7:108]-[#6:109](=[#8:110])-[#6:69](-[#7:70]-[#6:71](-[#6:73](-[#7:78]-[#6:79]-4=[#8:80])-[#6:74]-[#6:75](=[#8:77])-[#7:76])=[#8:72])-[#6:68]-[#16:67]-[#6:66]-3)-[#6:98](=[#8:99])-[#7:97]-[#6:89](-[#6:90]-[#6:91]3:[#6:96]:[#6:95]:[#6:94]:[#6:93]:[#6:92]:3)-[#6:87](=[#8:88])-[#7:86]-5)=[#8:63])=[#8:59])-[#7:56]-[#6:54](=[#8:55])-[#6:53]-[#7:52]-[#6:50](=[#8:51])-[#6:49]3-[#7:45](-[#6:46]-[#6:47]-[#6:48]-3)-[#6:43]-2=[#8:44])=[#8:40])-[#6:37]-[#16:36]-[#6:35]-[#6:20](-[#7:21]-[#6:22](-[#6:24](-[#7:27]-[#6:28](-[#6:30](-[#6:32](-[#6:34])-[#6:33])-[#7:31])=[#8:29])=[#6:25]-[#6:26])=[#8:23])-[#6:18](=[#8:19])-[#7:17]-[#6:6](-[#6:7]-[#6:8]2:[#6:16]3:[#6:11](:[#6:12]:[#6:13]:[#6:14]:[#6:15]:3):[#7:10]:[#6:9]:2)-[#6:4](=[#8:5])-[#7:3]-1>>[#6:1]=[#6:2]1-[#6:150](=[#8:151])-[#7:149]-[#6:144](-[#6:145]-[#6:146](-[#6:148])-[#6:147])-[#6:142](=[#8:143])-[#7:141]-[#6:38](-[#6:39](-[#7:41]-[#6:42]2-[#6:139](-[#6:140])-[#16:138]-[#6:137]-[#6:57](-[#6:58](-[#7:60]-[#6:61](-[#6:134](-[#8:136])-[#6:135])-[#6:62](-[#7:64]-[#6:65]3-[#6:132](=[#8:133])-[#7:131]4-[#6:126](-[#6:127](-[#6:129](-[#8:152])-[#6:130]-4)-[#8:128])-[#6:124](=[#8:125])-[#7:123]-[#6:122]-[#6:120](=[#8:121])-[#7:119]-[#6:118]-[#6:116](=[#8:117])-[#7:115]-[#6:114]-[#6:112](=[#8:113])-[#7:111]-[#6:81]4-[#6:82]-[#16:83]-[#6:84]-[#6:85]5-[#6:106](=[#8:107])-[#7:105]-[#6:104]=[#6:103]-[#16:102]-[#6:101]-[#6:100](-[#7:108]-[#6:109](=[#8:110])-[#6:69](-[#7:70]-[#6:71](-[#6:73](-[#7:78]-[#6:79]-4=[#8:80])-[#6:74]-[#6:75](=[#8:77])-[#7:76])=[#8:72])-[#6:68]-[#16:67]-[#6:66]-3)-[#6:98](=[#8:99])-[#7:97]-[#6:89](-[#6:90]-[#6:91]3:[#6:96]:[#6:95]:[#6:94]:[#6:93]:[#6:92]:3)-[#6:87](=[#8:88])-[#7:86]-5)=[#8:63])=[#8:59])-[#7:56]-[#6:54](=[#8:55])-[#6:53]-[#7:52]-[#6:50](=[#8:51])-[#6:49]3-[#7:45](-[#6:46]-[#6:47]-[#6:48]-3)-[#6:43]-2=[#8:44])=[#8:40])-[#6:37]-[#16:36]-[#6:35]-[#6:20](-[#7:21]-[#6:22](-[#6:24](-[#7:27]-[#6:28](-[#6:30](-[#6:32](-[#6:33])-[#6:34])-[#7:31])=[#8:29])=[#6:25]-[#6:26])=[#8:23])-[#6:18](=[#8:19])-[#7:17]-[#6:6](-[#6:7]-[#6:8]2:[#6:16]3:[#6:11](:[#6:12]:[#6:13]:[#6:14](-[Cl]):[#6:15]:3):[#7:10]:[#6:9]:2)-[#6:4](=[#8:5])-[#7:3]-1",
            "reactions": [
                {
                    "substrate": "C=C1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(NC(=O)/C(=C/C)NC(=O)C(N)C(C)C)CSCC(C(=O)NC2C(=O)N3CCCC3C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC3CSCC4NC(=O)C(CC(N)=O)NC(=O)C(CSCC5NC(=O)C(Cc6ccccc6)NC(=O)C(CSC=CNC5=O)NC4=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)C4C(O)C(O)CN4C3=O)C(C)O)CSC2C)NC(=O)C(CC(C)C)NC1=O",
                    "products": [
                        "C=C1NC(=O)C(Cc2c[nH]c3ccc(Cl)cc23)NC(=O)C(NC(=O)C(=CC)NC(=O)C(N)C(C)C)CSCC(C(=O)NC2C(=O)N3CCCC3C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC3CSCC4NC(=O)C(CC(N)=O)NC(=O)C(CSCC5NC(=O)C(Cc6ccccc6)NC(=O)C(CSC=CNC5=O)NC4=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)C4C(O)C(O)CN4C3=O)C(C)O)CSC2C)NC(=O)C(CC(C)C)NC1=O"
                    ],
                    "isIntermediate": false,
                    "description": "Chlorination of deschloro-microbisporicin A2, leading to mature product."
                }
            ],
            "evidence": {
                "evidenceCode": [
                    "Heterologous expression"
                ],
                "references": [
                    "doi:10.1021/acschembio.6b01031"
                ]
            }
        }
    ]
}