PDB entry 3fnf

View 3fnf on RCSB PDB site
Description: Crystal structure of InhA bound to triclosan derivative
Class: oxidoreductase
Keywords: InhA, triclosan, tuberculosis, Antibiotic resistance, Fatty acid biosynthesis, Lipid synthesis, NAD, Oxidoreductase
Deposited on 2008-12-24, released 2009-01-20
The last revision prior to the SCOPe 2.06 freeze date was dated 2009-02-17, with a file datestamp of 2009-02-13.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: 0.203
AEROSPACI score: 0.34 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: inhA, Rv1484, MT1531, MTCY277.05
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3fnfa_
  • Chain 'B':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: inhA, Rv1484, MT1531, MTCY277.05
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3fnfb_
  • Chain 'C':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: inhA, Rv1484, MT1531, MTCY277.05
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3fnfc_
  • Chain 'D':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: inhA, Rv1484, MT1531, MTCY277.05
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3fnfd_
  • Heterogens: NAD, JPM, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3fnfA (A:)
    mtglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapl
    leldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgi
    hisaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareag
    kygvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvak
    tvcallsdwlpattgdiiyadggahtqll
    

    Sequence, based on observed residues (ATOM records): (download)
    >3fnfA (A:)
    tglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapll
    eldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgih
    isaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareagk
    ygvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvakt
    vcallsdwlpattgdiiyadggahtqll
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3fnfB (B:)
    mtglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapl
    leldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgi
    hisaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareag
    kygvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvak
    tvcallsdwlpattgdiiyadggahtqll
    

    Sequence, based on observed residues (ATOM records): (download)
    >3fnfB (B:)
    tglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapll
    eldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgih
    isaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareagk
    ygvrsnlvaagpirtlamsegwdqrapigwnmkdatpvaktvcallsdwlpattgdiiya
    dggahtqll
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3fnfC (C:)
    mtglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapl
    leldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgi
    hisaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareag
    kygvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvak
    tvcallsdwlpattgdiiyadggahtqll
    

    Sequence, based on observed residues (ATOM records): (download)
    >3fnfC (C:)
    tglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapll
    eldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgih
    isaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareagk
    ygvrsnlvaagpirtlamsaieagaqiqlleegwdqrapigwnmkdatpvaktvcallsd
    wlpattgdiiyadggahtqll
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3fnfD (D:)
    mtglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapl
    leldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgi
    hisaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareag
    kygvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvak
    tvcallsdwlpattgdiiyadggahtqll
    

    Sequence, based on observed residues (ATOM records): (download)
    >3fnfD (D:)
    tglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapll
    eldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgih
    isaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareagk
    ygvrsnlvaagpirtlamsgaqiqlleegwdqrapigwnmkdatpvaktvcallsdwlpa
    ttgdiiyadggahtqll