PDB entry 3qwi

View 3qwi on RCSB PDB site
Description: Crystal structure of a 17beta-hydroxysteroid dehydrogenase (holo form) from fungus Cochliobolus lunatus in complex with NADPH and coumestrol
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: 17BETA-HYDROXYSTEROID DEHYDROGENASE, SHORT CHAIN DEHYDROGENASE/REDUCTASE, PHYTOESTROGENS, FLAVONOID, Rossmann Fold, Cytosol, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2011-02-28, released 2012-01-18
The last revision prior to the SCOPe 2.05 freeze date was dated 2013-07-03, with a file datestamp of 2013-06-28.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: 0.165
AEROSPACI score: 0.36 (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: d3qwia_
  • 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: d3qwib_
  • 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: d3qwic_
  • 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: d3qwid_
  • Heterogens: NAP, CUE, EDO, HOH

PDB Chain Sequences:

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

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

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

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

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

    Sequence, based on observed residues (ATOM records): (download) 
    >3qwiC (C:)
ipgrldgkvalvtgsgrgigaavavhlgrlgakvvvnyanstkdaekvvseikalgsdai
aikadirqvpeivklfdqavahfghldiavsnsgvvsfghlkdvteeefdrvfslntrgq
ffvareayrhlteggrivltssntskdfsvpkhslysgskgavdsfvrifskdcgdkkit
vnavapggtvtdmfhevshhyipngtsytaeqrqqmaahasplhrngwpqdvanvvgflv
skegewvngkvltldggaa

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

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