PDB entry 3qwh

View 3qwh on RCSB PDB site
Description: Crystal structure of the 17beta-hydroxysteroid dehydrogenase from Cochliobolus lunatus in complex with NADPH and kaempferol
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: 17BETA-HYDROXYSTEROID DEHYDROGENASE, SHORT CHAIN DEHYDROGENASE/REDUCTASE, PHYTOESTROGENS, FLAVONOIDS, Rossmann Fold, Cytosol, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2011-02-28, released 2012-03-21
The last revision prior to the SCOPe 2.05 freeze date was dated 2012-03-21, with a file datestamp of 2012-03-16.
Experiment type: XRAY
Resolution: 2.62 Å
R-factor: 0.172
AEROSPACI score: 0.33 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 17beta-hydroxysteroid dehydrogenase
    Species: Cochliobolus lunatus [TaxId:5503]
    Gene: 17HSDcl
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3qwha_
  • Chain 'B':
    Compound: 17beta-hydroxysteroid dehydrogenase
    Species: Cochliobolus lunatus [TaxId:5503]
    Gene: 17HSDcl
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3qwhb_
  • Chain 'C':
    Compound: 17beta-hydroxysteroid dehydrogenase
    Species: Cochliobolus lunatus [TaxId:5503]
    Gene: 17HSDcl
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3qwhc_
  • Chain 'D':
    Compound: 17beta-hydroxysteroid dehydrogenase
    Species: Cochliobolus lunatus [TaxId:5503]
    Gene: 17HSDcl
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3qwhd_
  • Heterogens: NAP, KMP, PEG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3qwhA (A:)
    mphvenasetyipgrldgkvalvtgsgrgigaavavhlgrlgakvvvnyanstkdaekvv
    seikalgsdaiaikadirqvpeivklfdqavahfghldiavsnsgvvsfghlkdvteeef
    drvfslntrgqffvareayrhlteggrivltssntskdfsvpkhslysgskgavdsfvri
    fskdcgdkkitvnavapggtvtdmfhevshhyipngtsytaeqrqqmaahasplhrngwp
    qdvanvvgflvskegewvngkvltldggaa
    

    Sequence, based on observed residues (ATOM records): (download)
    >3qwhA (A:)
    yipgrldgkvalvtgsgrgigaavavhlgrlgakvvvnyanstkdaekvvseikalgsda
    iaikadirqvpeivklfdqavahfghldiavsnsgvvsfghlkdvteeefdrvfslntrg
    qffvareayrhlteggrivltssntskdfsvpkhslysgskgavdsfvrifskdcgdkki
    tvnavapggtvtdmfhevshhyipngtsytaeqrqqmaahasplhrngwpqdvanvvgfl
    vskegewvngkvltldggaa
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3qwhB (B:)
    mphvenasetyipgrldgkvalvtgsgrgigaavavhlgrlgakvvvnyanstkdaekvv
    seikalgsdaiaikadirqvpeivklfdqavahfghldiavsnsgvvsfghlkdvteeef
    drvfslntrgqffvareayrhlteggrivltssntskdfsvpkhslysgskgavdsfvri
    fskdcgdkkitvnavapggtvtdmfhevshhyipngtsytaeqrqqmaahasplhrngwp
    qdvanvvgflvskegewvngkvltldggaa
    

    Sequence, based on observed residues (ATOM records): (download)
    >3qwhB (B:)
    tyipgrldgkvalvtgsgrgigaavavhlgrlgakvvvnyanstkdaekvvseikalgsd
    aiaikadirqvpeivklfdqavahfghldiavsnsgvvsfghlkdvteeefdrvfslntr
    gqffvareayrhlteggrivltssntskdfsvpkhslysgskgavdsfvrifskdcgdkk
    itvnavapggtvtdmfhevshhyipngtsytaeqrqqmaahasplhrngwpqdvanvvgf
    lvskegewvngkvltldggaa
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3qwhC (C:)
    mphvenasetyipgrldgkvalvtgsgrgigaavavhlgrlgakvvvnyanstkdaekvv
    seikalgsdaiaikadirqvpeivklfdqavahfghldiavsnsgvvsfghlkdvteeef
    drvfslntrgqffvareayrhlteggrivltssntskdfsvpkhslysgskgavdsfvri
    fskdcgdkkitvnavapggtvtdmfhevshhyipngtsytaeqrqqmaahasplhrngwp
    qdvanvvgflvskegewvngkvltldggaa
    

    Sequence, based on observed residues (ATOM records): (download)
    >3qwhC (C:)
    grldgkvalvtgsgrgigaavavhlgrlgakvvvnyanstkdaekvvseikalgsdaiai
    kadirqvpeivklfdqavahfghldiavsnsgvvsfghlkdvteeefdrvfslntrgqff
    vareayrhlteggrivltssntskdfsvpkhslysgskgavdsfvrifskdcgdkkitvn
    avapggtvtdmfhevshhyipngtsytaeqrqqmaahasplhrngwpqdvanvvgflvsk
    egewvngkvltldggaa
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3qwhD (D:)
    mphvenasetyipgrldgkvalvtgsgrgigaavavhlgrlgakvvvnyanstkdaekvv
    seikalgsdaiaikadirqvpeivklfdqavahfghldiavsnsgvvsfghlkdvteeef
    drvfslntrgqffvareayrhlteggrivltssntskdfsvpkhslysgskgavdsfvri
    fskdcgdkkitvnavapggtvtdmfhevshhyipngtsytaeqrqqmaahasplhrngwp
    qdvanvvgflvskegewvngkvltldggaa
    

    Sequence, based on observed residues (ATOM records): (download)
    >3qwhD (D:)
    tyipgrldgkvalvtgsgrgigaavavhlgrlgakvvvnyanstkdaekvvseikalgsd
    aiaikadirqvpeivklfdqavahfghldiavsnsgvvsfghlkdvteeefdrvfslntr
    gqffvareayrhlteggrivltssntskdfsvpkhslysgskgavdsfvrifskdcgdkk
    itvnavapggtvtdmfhevshhyipngtsytaeqrqqmaahasplhrngwpqdvanvvgf
    lvskegewvngkvltldggaa