PDB entry 4kwq

View 4kwq on RCSB PDB site
Description: Crystal Structure of BpKatG (D141A) in complex with Isoniazid
Class: oxidoreductase
Keywords: KatG, Alpha protein, Catalase-peroxidase oxidoreductase, Isoniazid binding, Triple Aminoacid Adduct, OXIDOREDUCTASE
Deposited on 2013-05-24, released 2014-05-07
Made obsolete by 5syj on 2016-09-21

The last revision prior to the SCOPe 2.06 freeze date was dated 2014-05-07, with a file datestamp of 2014-05-02.
Experiment type: XRAY
Resolution: 1.88 Å
R-factor: 0.154
AEROSPACI score: 0.44 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Catalase-peroxidase
    Species: Burkholderia pseudomallei [TaxId:557724]
    Gene: katG, BUC_3628
    Database cross-references and differences (RAF-indexed):
    • Uniprot B7CLB5 (Start-747)
      • conflict (693)
    Domains in SCOPe 2.06: d4kwqa1, d4kwqa2
  • Chain 'B':
    Compound: Catalase-peroxidase
    Species: Burkholderia pseudomallei [TaxId:557724]
    Gene: katG, BUC_3628
    Database cross-references and differences (RAF-indexed):
    • Uniprot B7CLB5 (Start-747)
      • conflict (693)
    Domains in SCOPe 2.06: d4kwqb1, d4kwqb2
  • Heterogens: NA, CL, MPD, NIZ, HEM, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4kwqA (A:)
    mpgsdagprrrgvheqrrnrmsneakcpfhqaagngtsnrdwwpnqldlsilhrhsslsd
    pmgkdfnyaqafekldlaavkrdlhalmttsqdwwpadfghygglfirmawhsagtyrta
    dgrggagegqqrfaplnswpdnanldkarrllwpikqkygraiswadlliltgnvalesm
    gfktfgfaggradtwepedvywgsekiwlelsggpnsrysgdrqlenplaavqmgliyvn
    pegpdgnpdpvaaardirdtfarmamndeetvaliagghtfgkthgagpasnvgaepeaa
    gieaqglgwksayrtgkgadaitsglevtwtttptqwshnffenlfgyeweltkspagah
    qwvakgadavipdafdpskkhrptmlttdlslrfdpayekisrrfhenpeqfadafaraw
    fklthrdmgprarylgpevpaevllwqdpipavdhplidaadaaelkakvlasgltvsql
    vstawaaastfrgsdkrggangarirlapqkdweanqpeqlaavletleairtafngaqr
    ggkqvsladlivlagcagveqaaknaghavtvpfapgradasqeqtdvesmavlepvadg
    frnylkgkyrvpaevllvdkaqlltlsapemtvllgglrvlganvgqsrhgvftareqal
    tndffvnlldmgtewkptaadadvfegrdratgelkwtgtrvdlvfgshsqlralaevyg
    sadaqekfvrdfvavwnkvmnldrfdla
    

    Sequence, based on observed residues (ATOM records): (download)
    >4kwqA (A:)
    ngtsnrdwwpnqldlsilhrhsslsdpmgkdfnyaqafekldlaavkrdlhalmttsqdw
    wpadfghygglfirmawhsagtyrtadgrggagegqqrfaplnswpdnanldkarrllwp
    ikqkygraiswadlliltgnvalesmgfktfgfaggradtwepedvywgsekiwlelsgg
    pnsrysgdrqlenplaavqmgliyvnpegpdgnpdpvaaardirdtfarmamndeetval
    iagghtfgkthgagpasnvgaepeaagieaqglgwksayrtgkgadaitsglevtwtttp
    tqwshnffenlfgyeweltkspagahqwvakgadavipdafdpskkhrptmlttdlslrf
    dpayekisrrfhenpeqfadafarawfklthrdmgprarylgpevpaevllwqdpipavd
    hplidaadaaelkakvlasgltvsqlvstawaaastfrgsdkrggangarirlapqkdwe
    anqpeqlaavletleairtafngaqrggkqvsladlivlagcagveqaaknaghavtvpf
    apgradasqeqtdvesmavlepvadgfrnylkgkyrvpaevllvdkaqlltlsapemtvl
    lgglrvlganvgqsrhgvftareqaltndffvnlldmgtewkptaadadvfegrdratge
    lkwtgtrvdlvfgshsqlralaevygsadaqekfvrdfvavwnkvmnldrfdla
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4kwqB (B:)
    mpgsdagprrrgvheqrrnrmsneakcpfhqaagngtsnrdwwpnqldlsilhrhsslsd
    pmgkdfnyaqafekldlaavkrdlhalmttsqdwwpadfghygglfirmawhsagtyrta
    dgrggagegqqrfaplnswpdnanldkarrllwpikqkygraiswadlliltgnvalesm
    gfktfgfaggradtwepedvywgsekiwlelsggpnsrysgdrqlenplaavqmgliyvn
    pegpdgnpdpvaaardirdtfarmamndeetvaliagghtfgkthgagpasnvgaepeaa
    gieaqglgwksayrtgkgadaitsglevtwtttptqwshnffenlfgyeweltkspagah
    qwvakgadavipdafdpskkhrptmlttdlslrfdpayekisrrfhenpeqfadafaraw
    fklthrdmgprarylgpevpaevllwqdpipavdhplidaadaaelkakvlasgltvsql
    vstawaaastfrgsdkrggangarirlapqkdweanqpeqlaavletleairtafngaqr
    ggkqvsladlivlagcagveqaaknaghavtvpfapgradasqeqtdvesmavlepvadg
    frnylkgkyrvpaevllvdkaqlltlsapemtvllgglrvlganvgqsrhgvftareqal
    tndffvnlldmgtewkptaadadvfegrdratgelkwtgtrvdlvfgshsqlralaevyg
    sadaqekfvrdfvavwnkvmnldrfdla
    

    Sequence, based on observed residues (ATOM records): (download)
    >4kwqB (B:)
    ngtsnrdwwpnqldlsilhrhsslsdpmgkdfnyaqafekldlaavkrdlhalmttsqdw
    wpadfghygglfirmawhsagtyrtadgrggagegqqrfaplnswpdnanldkarrllwp
    ikqkygraiswadlliltgnvalesmgfktfgfaggradtwepedvywgsekiwlelsgg
    pnsrysgdrqlenplaavqmgliyvnpegpdgnpdpvaaardirdtfarmamndeetval
    iagghtfgkthgagpasnvgaepeaagieaqglgwksayrtgkgadaitsglevtwtttp
    tqwshnffenlfgyeweltkspagahqwvakgadavipdafdpskkhrptmlttdlslrf
    dpayekisrrfhenpeqfadafarawfklthrdmgprarylgpevpaevllwqdpipavd
    hplidaadaaelkakvlasgltvsqlvstawaaastfrgsdkrggangarirlapqkdwe
    anqpeqlaavletleairtafngaqrggkqvsladlivlagcagveqaaknaghavtvpf
    apgradasqeqtdvesmavlepvadgfrnylkgkyrvpaevllvdkaqlltlsapemtvl
    lgglrvlganvgqsrhgvftareqaltndffvnlldmgtewkptaadadvfegrdratge
    lkwtgtrvdlvfgshsqlralaevygsadaqekfvrdfvavwnkvmnldrfdla