PDB entry 4bge

View 4bge on RCSB PDB site
Description: Crystal structure of InhA(S94A) mutant in complex with pyridomycin
Class: oxidoreductase
Keywords: oxidoreductase
Deposited on 2013-03-26, released 2013-12-04
The last revision prior to the SCOPe 2.06 freeze date was dated 2014-02-05, with a file datestamp of 2014-01-31.
Experiment type: XRAY
Resolution: 2.25 Å
R-factor: 0.2417
AEROSPACI score: 0.25 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Gene:
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A5Y6 (Start-268)
      • engineered mutation (93)
    Domains in SCOPe 2.06: d4bgea_
  • Chain 'B':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Gene:
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A5Y6 (Start-268)
      • engineered mutation (93)
    Domains in SCOPe 2.06: d4bgeb_
  • Chain 'C':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Gene:
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A5Y6 (Start-268)
      • engineered mutation (93)
    Domains in SCOPe 2.06: d4bgec_
  • Chain 'D':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Gene:
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A5Y6 (Start-268)
      • engineered mutation (93)
    Domains in SCOPe 2.06: d4bged_
  • Chain 'E':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Gene:
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A5Y6 (Start-268)
      • engineered mutation (93)
    Domains in SCOPe 2.06: d4bgee_
  • Chain 'F':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Gene:
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A5Y6 (Start-268)
      • engineered mutation (93)
    Domains in SCOPe 2.06: d4bgef_
  • Heterogens: PYW, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4bgeA (A:)
    mtglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapl
    leldvqneehlaslagrvteaigagnkldgvvhaigfmpqtgmginpffdapyadvskgi
    hisaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareag
    kygvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvak
    tvcallsdwlpattgdiiyadggahtqll
    

    Sequence, based on observed residues (ATOM records): (download)
    >4bgeA (A:)
    glldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakaplle
    ldvqneehlaslagrvteaigagnkldgvvhaigfmpqtgmginpffdapyadvskgihi
    saysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareagky
    gvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvaktv
    callsdwlpattgdiiyadggahtqll
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4bgeB (B:)
    mtglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapl
    leldvqneehlaslagrvteaigagnkldgvvhaigfmpqtgmginpffdapyadvskgi
    hisaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareag
    kygvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvak
    tvcallsdwlpattgdiiyadggahtqll
    

    Sequence, based on observed residues (ATOM records): (download)
    >4bgeB (B:)
    glldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakaplle
    ldvqneehlaslagrvteaigagnkldgvvhaigfmpqtgmginpffdapyadvskgihi
    saysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareagky
    gvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvaktv
    callsdwlpattgdiiyadggahtqll
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4bgeC (C:)
    mtglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapl
    leldvqneehlaslagrvteaigagnkldgvvhaigfmpqtgmginpffdapyadvskgi
    hisaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareag
    kygvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvak
    tvcallsdwlpattgdiiyadggahtqll
    

    Sequence, based on observed residues (ATOM records): (download)
    >4bgeC (C:)
    glldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakaplle
    ldvqneehlaslagrvteaigagnkldgvvhaigfmpqtgmginpffdapyadvskgihi
    saysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareagky
    gvrsnlvaagpireeagaqiqlleegwdqrapigwnmkdatpvaktvcallsdwlpattg
    diiyadggahtqll
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4bgeD (D:)
    mtglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapl
    leldvqneehlaslagrvteaigagnkldgvvhaigfmpqtgmginpffdapyadvskgi
    hisaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareag
    kygvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvak
    tvcallsdwlpattgdiiyadggahtqll
    

    Sequence, based on observed residues (ATOM records): (download)
    >4bgeD (D:)
    glldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakaplle
    ldvqneehlaslagrvteaigagnkldgvvhaigfmpqtgmginpffdapyadvskgihi
    saysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareagky
    gvrsnlvaagpieagaqiqlleegwdqrapigwnmkdatpvaktvcallsdwlpattgdi
    iyadggahtqll
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >4bgeE (E:)
    mtglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapl
    leldvqneehlaslagrvteaigagnkldgvvhaigfmpqtgmginpffdapyadvskgi
    hisaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareag
    kygvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvak
    tvcallsdwlpattgdiiyadggahtqll
    

    Sequence, based on observed residues (ATOM records): (download)
    >4bgeE (E:)
    glldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakaplle
    ldvqneehlaslagrvteaigagnkldgvvhaigfmpqtgmginpffdapyadvskgihi
    saysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareagky
    gvrsnlvaagpirtaqiqlleegwdqrapigwnmkdatpvaktvcallsdwlpattgdii
    yadggahtqll
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >4bgeF (F:)
    mtglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapl
    leldvqneehlaslagrvteaigagnkldgvvhaigfmpqtgmginpffdapyadvskgi
    hisaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareag
    kygvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvak
    tvcallsdwlpattgdiiyadggahtqll
    

    Sequence, based on observed residues (ATOM records): (download)
    >4bgeF (F:)
    glldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakaplle
    ldvqneehlaslagrvteaigagnkldgvvhaigfmpqtgmginpffdapyadvskgihi
    saysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareagky
    gvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvaktv
    callsdwlpattgdiiyadggahtqll