PDB entry 3pwg

View 3pwg on RCSB PDB site
Description: Crystal structure of the mutant S29G.P34A of D-Glucarate dehydratase from Escherichia coli complexed with product 5-keto-4-deoxy-D-Glucarate
Class: lyase
Keywords: Enolase superfamily fold, D-Glucarate dehydratase, 5-keto-4-deoxy-D-Glucarate, LYASE
Deposited on 2010-12-08, released 2011-12-28
The last revision prior to the SCOPe 2.06 freeze date was dated 2011-12-28, with a file datestamp of 2011-12-23.
Experiment type: XRAY
Resolution: 2 Å
R-factor: 0.234
AEROSPACI score: 0.39 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: glucarate dehydratase
    Species: Escherichia coli [TaxId:444449]
    Gene: ECH74042_A2717
    Database cross-references and differences (RAF-indexed):
    • Uniprot E2KTD9 (Start-445)
      • engineered mutation (28)
      • engineered mutation (33)
    Domains in SCOPe 2.06: d3pwga1, d3pwga2
  • Chain 'B':
    Compound: glucarate dehydratase
    Species: Escherichia coli [TaxId:444449]
    Gene: ECH74042_A2717
    Database cross-references and differences (RAF-indexed):
    • Uniprot E2KTD9 (Start-445)
      • engineered mutation (28)
      • engineered mutation (33)
    Domains in SCOPe 2.06: d3pwgb1, d3pwgb2
  • Chain 'C':
    Compound: glucarate dehydratase
    Species: Escherichia coli [TaxId:444449]
    Gene: ECH74042_A2717
    Database cross-references and differences (RAF-indexed):
    • Uniprot E2KTD9 (Start-445)
      • engineered mutation (28)
      • engineered mutation (33)
    Domains in SCOPe 2.06: d3pwgc1
  • Chain 'D':
    Compound: glucarate dehydratase
    Species: Escherichia coli [TaxId:444449]
    Gene: ECH74042_A2717
    Database cross-references and differences (RAF-indexed):
    • Uniprot E2KTD9 (Start-445)
      • engineered mutation (28)
      • engineered mutation (33)
    Domains in SCOPe 2.06: d3pwgd1, d3pwgd2
  • Heterogens: MG, GLR, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3pwgA (A:)
    mssqfttpvvtemqvipvaghdsmlmnlggahaafftrniviikdnsghtgvgeipggek
    irktledaiplvvgktlgeyknvltlvrntfadrdaggrglqtfdlrttihvvtgieaam
    ldllgqhlgvnvasllgdgqqrsevemlgylffvgnrkatplpyqsqpddscdwyrlrhe
    eamtpdavvrlaeaayekygfndfklkggvlageeeaesivalaqrfpqaritldpngaw
    slneaikigkylkgslayaedpcgaeqgfsgrevmaefrratglptatnmiatdwrqmgh
    tlslqsvdipladphfwtmqgsvrvaqmchefgltwgshsnnhfdislamfthvaaaapg
    kitaidthwiwqegnqrltkepfeikgglvqvpekpglgveidmdqvmkahelyqkhglg
    arddamgmqylipgwtfdnkrpcmvr
    

    Sequence, based on observed residues (ATOM records): (download)
    >3pwgA (A:)
    fttpvvtemqvipvaghdsmlmnlggahaafftrniviikdnsghtgvgeipggekirkt
    ledaiplvvgktlgeyknvltlvrntfadrdaggrglqtfdlrttihvvtgieaamldll
    gqhlgvnvasllgdgqqrsevemlgylffvgnrkatplpyqsqpddscdwyrlrheeamt
    pdavvrlaeaayekygfndfklkggvlageeeaesivalaqrfpqaritldpngawslne
    aikigkylkgslayaedpcgaeqgfsgrevmaefrratglptatnmiatdwrqmghtlsl
    qsvdipladphfwtmqgsvrvaqmchefgltwgshsnnhfdislamfthvaaaapgkita
    idthwiwqegnqrltkepfeikgglvqvpekpglgveidmdqvmkahelyqkhglgardd
    amgmqylipgwtfdnkrpcmvr
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3pwgB (B:)
    mssqfttpvvtemqvipvaghdsmlmnlggahaafftrniviikdnsghtgvgeipggek
    irktledaiplvvgktlgeyknvltlvrntfadrdaggrglqtfdlrttihvvtgieaam
    ldllgqhlgvnvasllgdgqqrsevemlgylffvgnrkatplpyqsqpddscdwyrlrhe
    eamtpdavvrlaeaayekygfndfklkggvlageeeaesivalaqrfpqaritldpngaw
    slneaikigkylkgslayaedpcgaeqgfsgrevmaefrratglptatnmiatdwrqmgh
    tlslqsvdipladphfwtmqgsvrvaqmchefgltwgshsnnhfdislamfthvaaaapg
    kitaidthwiwqegnqrltkepfeikgglvqvpekpglgveidmdqvmkahelyqkhglg
    arddamgmqylipgwtfdnkrpcmvr
    

    Sequence, based on observed residues (ATOM records): (download)
    >3pwgB (B:)
    fttpvvtemqvipvaghdsmlmnlggahaafftrniviikdnsghtgvgeipggekirkt
    ledaiplvvgktlgeyknvltlvrntfadrdaggrglqtfdlrttihvvtgieaamldll
    gqhlgvnvasllgdgqqrsevemlgylffvgnrkatplpyqsqpddscdwyrlrheeamt
    pdavvrlaeaayekygfndfklkggvlageeeaesivalaqrfpqaritldpngawslne
    aikigkylkgslayaedpcgaeqgfsgrevmaefrratglptatnmiatdwrqmghtlsl
    qsvdipladphfwtmqgsvrvaqmchefgltwgshsnnhfdislamfthvaaaapgkita
    idthwiwqegnqrltkepfeikgglvqvpekpglgveidmdqvmkahelyqkhglgardd
    amgmqylipgwtfdnkrpcmvr
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3pwgC (C:)
    mssqfttpvvtemqvipvaghdsmlmnlggahaafftrniviikdnsghtgvgeipggek
    irktledaiplvvgktlgeyknvltlvrntfadrdaggrglqtfdlrttihvvtgieaam
    ldllgqhlgvnvasllgdgqqrsevemlgylffvgnrkatplpyqsqpddscdwyrlrhe
    eamtpdavvrlaeaayekygfndfklkggvlageeeaesivalaqrfpqaritldpngaw
    slneaikigkylkgslayaedpcgaeqgfsgrevmaefrratglptatnmiatdwrqmgh
    tlslqsvdipladphfwtmqgsvrvaqmchefgltwgshsnnhfdislamfthvaaaapg
    kitaidthwiwqegnqrltkepfeikgglvqvpekpglgveidmdqvmkahelyqkhglg
    arddamgmqylipgwtfdnkrpcmvr
    

    Sequence, based on observed residues (ATOM records): (download)
    >3pwgC (C:)
    qfttpvvtemqvipvaghdsmlmnlggahaafftrniviikdnsghtgvgeipggekirk
    tledaiplvvgktlgeyknvltlvrntfadrdlrttihvvtgieaamldllgqhlgvnva
    sllgdgqqrsevemlgylffvgnrkatplpyqsqpddscdwyrlrheeamtpdavvrlae
    aayekygfndfklkggvlageeeaesivalaqrfpqaritldpngawslneaikigkylk
    gslayaedpcgaeqgfsgrevmaefrratglptatnmiatdwrqmghtlslqsvdiplad
    phfwtmqgsvrvaqmchefgltwgshsnnhfdislamfthvaaaapgkitaidthwiwqe
    gnqrltkepfeikgglvqvpekpglgveidmdqvmkahelyqkhglgarddamgmqylip
    gwtfdnkrpcmvr
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3pwgD (D:)
    mssqfttpvvtemqvipvaghdsmlmnlggahaafftrniviikdnsghtgvgeipggek
    irktledaiplvvgktlgeyknvltlvrntfadrdaggrglqtfdlrttihvvtgieaam
    ldllgqhlgvnvasllgdgqqrsevemlgylffvgnrkatplpyqsqpddscdwyrlrhe
    eamtpdavvrlaeaayekygfndfklkggvlageeeaesivalaqrfpqaritldpngaw
    slneaikigkylkgslayaedpcgaeqgfsgrevmaefrratglptatnmiatdwrqmgh
    tlslqsvdipladphfwtmqgsvrvaqmchefgltwgshsnnhfdislamfthvaaaapg
    kitaidthwiwqegnqrltkepfeikgglvqvpekpglgveidmdqvmkahelyqkhglg
    arddamgmqylipgwtfdnkrpcmvr
    

    Sequence, based on observed residues (ATOM records): (download)
    >3pwgD (D:)
    fttpvvtemqvipvaghdsmlmnlggahaafftrniviikdnsghtgvgeipggekirkt
    ledaiplvvgktlgeyknvltlvrntfattihvvtgieaamldllgqhlgvnvasllgdg
    qqrsevemlgylffvgnrkatplpyqsqpddscdwyrlrheeamtpdavvrlaeaayeky
    gfndfklkggvlageeeaesivalaqrfpqaritldpngawslneaikigkylkgslaya
    edpcgaeqgfsgrevmaefrratglptatnmiatdwrqmghtlslqsvdipladphfwtm
    qgsvrvaqmchefgltwgshsnnhfdislamfthvaaaapgkitaidthwiwqegnqrlt
    kepfeikgglvqvpekpglgveidmdqvmkahelyqkhglgarddamgmqylipgwtfdn
    krpcmvr