PDB entry 3ay6

View 3ay6 on RCSB PDB site
Description: Crystal structure of Bacillus megaterium glucose dehydrogenase 4 A258F mutant in complex with NADH and D-glucose
Class: oxidoreductase
Keywords: Rossmann Fold, Oxidation-reduction process, Nucleotide binding, Cytosol, OXIDOREDUCTASE
Deposited on 2011-04-29, released 2012-05-23
The last revision prior to the SCOPe 2.03 freeze date was dated 2012-09-19, with a file datestamp of 2012-09-14.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: 0.196
AEROSPACI score: 0.43 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Glucose 1-dehydrogenase 4
    Species: Bacillus megaterium [TaxId:1404]
    Gene: gdhIV
    Database cross-references and differences (RAF-indexed):
    • Uniprot P39485 (8-268)
      • expression tag (6-7)
      • engineered mutation (265)
    Domains in SCOPe 2.03: d3ay6a_
  • Chain 'B':
    Compound: Glucose 1-dehydrogenase 4
    Species: Bacillus megaterium [TaxId:1404]
    Gene: gdhIV
    Database cross-references and differences (RAF-indexed):
    • Uniprot P39485 (8-268)
      • expression tag (2-7)
      • engineered mutation (265)
    Domains in SCOPe 2.03: d3ay6b_
  • Chain 'C':
    Compound: Glucose 1-dehydrogenase 4
    Species: Bacillus megaterium [TaxId:1404]
    Gene: gdhIV
    Database cross-references and differences (RAF-indexed):
    • Uniprot P39485 (8-268)
      • expression tag (7)
      • engineered mutation (265)
    Domains in SCOPe 2.03: d3ay6c_
  • Chain 'D':
    Compound: Glucose 1-dehydrogenase 4
    Species: Bacillus megaterium [TaxId:1404]
    Gene: gdhIV
    Database cross-references and differences (RAF-indexed):
    • Uniprot P39485 (8-268)
      • expression tag (2-7)
      • engineered mutation (265)
    Domains in SCOPe 2.03: d3ay6d_
  • Heterogens: NAI, BGC, CL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3ay6A (A:)
    mghhhhhhmytdlkdkvvvitggstglgramavrfgqeeakvvinyynneeealdakkev
    eeaggqaiivqgdvtkeedvvnlvqtaikefgtldvminnagvenpvpshelsldnwnkv
    idtnltgaflgsreaikyfvendikgnvinmssvhemipwplfvhyaaskggmklmtetl
    aleyapkgirvnnigpgamntpinaekfadpvqradvesmipmgyigkpeevaavaafla
    ssqasyvtgitlfadggmtkypsfqfgrg
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ay6A (A:)
    hhmytdlkdkvvvitggstglgramavrfgqeeakvvinyynneeealdakkeveeaggq
    aiivqgdvtkeedvvnlvqtaikefgtldvminnagvenpvpshelsldnwnkvidtnlt
    gaflgsreaikyfvendikgnvinmssvhemipwplfvhyaaskggmklmtetlaleyap
    kgirvnnigpgamntpinaekfadpvqradvesmipmgyigkpeevaavaaflassqasy
    vtgitlfadggmtkypsfqfgrg
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3ay6B (B:)
    mghhhhhhmytdlkdkvvvitggstglgramavrfgqeeakvvinyynneeealdakkev
    eeaggqaiivqgdvtkeedvvnlvqtaikefgtldvminnagvenpvpshelsldnwnkv
    idtnltgaflgsreaikyfvendikgnvinmssvhemipwplfvhyaaskggmklmtetl
    aleyapkgirvnnigpgamntpinaekfadpvqradvesmipmgyigkpeevaavaafla
    ssqasyvtgitlfadggmtkypsfqfgrg
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ay6B (B:)
    hhhhhhmytdlkdkvvvitggstglgramavrfgqeeakvvinyynneeealdakkevee
    aggqaiivqgdvtkeedvvnlvqtaikefgtldvminnagvenpvpshelsldnwnkvid
    tnltgaflgsreaikyfvendikgnvinmssvhemipwplfvhyaaskggmklmtetlal
    eyapkgirvnnigpgamntpinaekfadpvqradvesmipmgyigkpeevaavaaflass
    qasyvtgitlfadggmtkypsfqfgrg
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3ay6C (C:)
    mghhhhhhmytdlkdkvvvitggstglgramavrfgqeeakvvinyynneeealdakkev
    eeaggqaiivqgdvtkeedvvnlvqtaikefgtldvminnagvenpvpshelsldnwnkv
    idtnltgaflgsreaikyfvendikgnvinmssvhemipwplfvhyaaskggmklmtetl
    aleyapkgirvnnigpgamntpinaekfadpvqradvesmipmgyigkpeevaavaafla
    ssqasyvtgitlfadggmtkypsfqfgrg
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ay6C (C:)
    hmytdlkdkvvvitggstglgramavrfgqeeakvvinyynneeealdakkeveeaggqa
    iivqgdvtkeedvvnlvqtaikefgtldvminnagvenpvpshelsldnwnkvidtnltg
    aflgsreaikyfvendikgnvinmssvhemipwplfvhyaaskggmklmtetlaleyapk
    girvnnigpgamntpinaekfadpvqradvesmipmgyigkpeevaavaaflassqasyv
    tgitlfadggmtkypsfqfgrg
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3ay6D (D:)
    mghhhhhhmytdlkdkvvvitggstglgramavrfgqeeakvvinyynneeealdakkev
    eeaggqaiivqgdvtkeedvvnlvqtaikefgtldvminnagvenpvpshelsldnwnkv
    idtnltgaflgsreaikyfvendikgnvinmssvhemipwplfvhyaaskggmklmtetl
    aleyapkgirvnnigpgamntpinaekfadpvqradvesmipmgyigkpeevaavaafla
    ssqasyvtgitlfadggmtkypsfqfgrg
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ay6D (D:)
    hhhhhhmytdlkdkvvvitggstglgramavrfgqeeakvvinyynneeealdakkevee
    aggqaiivqgdvtkeedvvnlvqtaikefgtldvminnagvenpvpshelsldnwnkvid
    tnltgaflgsreaikyfvendikgnvinmssvhemipwplfvhyaaskggmklmtetlal
    eyapkgirvnnigpgamntpinaekfadpvqradvesmipmgyigkpeevaavaaflass
    qasyvtgitlfadggmtkypsfqfgrg