PDB entry 6aqj

View 6aqj on RCSB PDB site
Description: Crystal structures of Staphylococcus aureus ketol-acid reductoisomerase in complex with two transition state analogs that have biocidal activity.
Class: isomerase
Keywords: Reductoisomerase, Complex, Inhibitor, IpOHA, ISOMERASE
Deposited on 2017-08-20, released 2017-10-18
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-10-18, with a file datestamp of 2017-10-13.
Experiment type: XRAY
Resolution: 1.37 Å
R-factor: N/A
AEROSPACI score: 0.55 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Ketol-acid reductoisomerase (NADP(+))
    Species: Staphylococcus aureus [TaxId:273036]
    Gene: ilvC, SAB1941
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6aqja1, d6aqja2
  • Chain 'B':
    Compound: Ketol-acid reductoisomerase (NADP(+))
    Species: Staphylococcus aureus [TaxId:273036]
    Gene: ilvC, SAB1941
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6aqjb1, d6aqjb2
  • Heterogens: 40E, HIO, NDP, MG, GOL, EDO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6aqjA (A:)
    ttvyydqdvktdalqgkkiavvgygsqghahaqnlkdngydvvigirpgrsfdkakedgf
    dvfpvaeavkqadvimvllpdeiqgdvykneiepnlekhnalafahgfnihfgviqppad
    vdvflvapkgpghlvrrtfvegsavpslfgiqqdasgqarnialsyakgigatragviet
    tfkeetetdlfgeqavlcggvskliqsgfetlveagyqpelayfevlhemklivdlmyeg
    gmenvrysisntaefgdyvsgprvitpdvkenmkavltdiqngnfsnrfiednkngfkef
    yklreeqhghqiekvgrelremmpfiksksiekhhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >6aqjA (A:)
    ttvyydqdvktdalqgkkiavvgygsqghahaqnlkdngydvvigirpgrsfdkakedgf
    dvfpvaeavkqadvimvllpdeiqgdvykneiepnlekhnalafahgfnihfgviqppad
    vdvflvapkgpghlvrrtfvegsavpslfgiqqdasgqarnialsyakgigatragviet
    tfkeetetdlfgeqavlcggvskliqsgfetlveagyqpelayfevlhemklivdlmyeg
    gmenvrysisntaefgdyvsgprvitpdvkenmkavltdiqngnfsnrfiednkngfkef
    yklreeqhghqiekvgrelremmpfi
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6aqjB (B:)
    ttvyydqdvktdalqgkkiavvgygsqghahaqnlkdngydvvigirpgrsfdkakedgf
    dvfpvaeavkqadvimvllpdeiqgdvykneiepnlekhnalafahgfnihfgviqppad
    vdvflvapkgpghlvrrtfvegsavpslfgiqqdasgqarnialsyakgigatragviet
    tfkeetetdlfgeqavlcggvskliqsgfetlveagyqpelayfevlhemklivdlmyeg
    gmenvrysisntaefgdyvsgprvitpdvkenmkavltdiqngnfsnrfiednkngfkef
    yklreeqhghqiekvgrelremmpfiksksiekhhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >6aqjB (B:)
    ttvyydqdvktdalqgkkiavvgygsqghahaqnlkdngydvvigirpgrsfdkakedgf
    dvfpvaeavkqadvimvllpdeiqgdvykneiepnlekhnalafahgfnihfgviqppad
    vdvflvapkgpghlvrrtfvegsavpslfgiqqdasgqarnialsyakgigatragviet
    tfkeetetdlfgeqavlcggvskliqsgfetlveagyqpelayfevlhemklivdlmyeg
    gmenvrysisntaefgdyvsgprvitpdvkenmkavltdiqngnfsnrfiednkngfkef
    yklreeqhghqiekvgrelremmpfi