PDB entry 3n76

View 3n76 on RCSB PDB site
Description: Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with compound 5
Class: lyase/lyase inhibitor
Keywords: dehydroquinate dehydratase, aroD, shikimate pathway, drug discovery, mycobacterium tuberculosis, LYASE, LYASE-LYASE INHIBITOR complex
Deposited on 2010-05-26, released 2011-05-11
The last revision prior to the SCOPe 2.07 freeze date was dated 2012-02-29, with a file datestamp of 2012-02-24.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: 0.178
AEROSPACI score: 0.47 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 3-dehydroquinate dehydratase
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: aroD, aroQ, MT2612, MTCY159.19, Rv2537c
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3n76a_
  • Heterogens: CA2, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3n76A (A:)
    mselivnvingpnlgrlgrrepavyggtthdelvaliereaaelglkavvrqsdseaqll
    dwihqaadaaepvilnagglthtsvalrdacaelsaplievhisnvhareefrrhsylsp
    iatgvivglgiqgyllalrylaehvgt
    

    Sequence, based on observed residues (ATOM records): (download)
    >3n76A (A:)
    elivnvingpnlgrlgrrepavyggtthdelvaliereaaelglkavvrqsdseaqlldw
    ihqaadaaepvilnagglthtsvalrdacaelsaplievhisnvhareefrrhsylspia
    tgvivglgiqgyllalrylaehv