PDB entry 4v0s

View 4v0s on RCSB PDB site
Description: Crystal structure of Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant inhibited by a 3-dehydroquinic acid derivative
Class: lyase
Keywords: binding sites, type 2 dehydroquinase, lyase, inhibitor, protein binding, shikimis acid pathway, substrate specificity
Deposited on 2014-09-18, released 2016-01-13
The last revision prior to the SCOPe 2.07 freeze date was dated 2016-01-13, with a file datestamp of 2016-01-08.
Experiment type: XRAY
Resolution: 1.55 Å
R-factor: N/A
AEROSPACI score: 0.46 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 3-dehydroquinate dehydratase
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P9WPX6 (0-145)
      • engineered mutation (87)
    Domains in SCOPe 2.07: d4v0sa_
  • Chain 'B':
    Compound: 3-dehydroquinate dehydratase
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P9WPX6
      • engineered mutation (87)
    Domains in SCOPe 2.07: d4v0sb_
  • Heterogens: 2HN, 7HN, CL, NA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4v0sA (A:)
    selivnvingpnlgrlgrrepavyggtthdelvaliereaaelglkavvrqsdseaqlld
    wihqaadaaepvilnagglthtsvalrnacaelsaplievhisnvhareefrrhsylspi
    atgvivglgiqgyllalrylaehvgt
    

    Sequence, based on observed residues (ATOM records): (download)
    >4v0sA (A:)
    selivnvingpnlgrlgrrepavyggtthdelvaliereaaelglkavvrqsdseaqlld
    wihqaadaaepvilnagglthtsvalrnacaelsaplievhisnvhahsylspiatgviv
    glgiqgyllalrylaehvgt
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4v0sB (B:)
    selivnvingpnlgrlgrrepavyggtthdelvaliereaaelglkavvrqsdseaqlld
    wihqaadaaepvilnagglthtsvalrnacaelsaplievhisnvhareefrrhsylspi
    atgvivglgiqgyllalrylaehvgt
    

    Sequence, based on observed residues (ATOM records): (download)
    >4v0sB (B:)
    elivnvingpnlgrlgrrepavyggtthdelvaliereaaelglkavvrqsdseaqlldw
    ihqaadaaepvilnagglthtsvalrnacaelsaplievhisnvhareefrrhsylspia
    tgvivglgiqgyllalrylaehv