PDB entry 4fj2

View 4fj2 on RCSB PDB site
Description: Crystal structure of the ternary complex between a fungal 17beta-hydroxysteroid dehydrogenase (Holo form) and biochanin A
Class: oxidoreductase/Oxidoreductase inhibitor
Keywords: Short chain Dehydrogenase/Reductase, Rossmann Fold, Oxidoreductase, NADP(H), oxidoreductase-Oxidoreductase inhibitor complex
Deposited on 2012-06-11, released 2013-07-03
The last revision prior to the SCOPe 2.03 freeze date was dated 2013-07-03, with a file datestamp of 2013-06-28.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: 0.169
AEROSPACI score: 0.37 (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 2.03: d4fj2a_
  • Chain 'B':
    Compound: 17beta-hydroxysteroid dehydrogenase
    Species: Cochliobolus lunatus [TaxId:5503]
    Gene: 17HSDcl
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.03: d4fj2b_
  • Chain 'C':
    Compound: 17beta-hydroxysteroid dehydrogenase
    Species: Cochliobolus lunatus [TaxId:5503]
    Gene: 17HSDcl
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.03: d4fj2c_
  • Chain 'D':
    Compound: 17beta-hydroxysteroid dehydrogenase
    Species: Cochliobolus lunatus [TaxId:5503]
    Gene: 17HSDcl
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.03: d4fj2d_
  • Heterogens: NAP, EDO, QSO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4fj2A (A:)
mphvenasetyipgrldgkvalvtgsgrgigaavavhlgrlgakvvvnyanstkdaekvv
seikalgsdaiaikadirqvpeivklfdqavahfghldiavsnsgvvsfghlkdvteeef
drvfslntrgqffvareayrhlteggrivltssntskdfsvpkhslysgskgavdsfvri
fskdcgdkkitvnavapggtvtdmfhevshhyipngtsytaeqrqqmaahasplhrngwp
qdvanvvgflvskegewvngkvltldggaa

    Sequence, based on observed residues (ATOM records): (download) 
    >4fj2A (A:)
yipgrldgkvalvtgsgrgigaavavhlgrlgakvvvnyanstkdaekvvseikalgsda
iaikadirqvpeivklfdqavahfghldiavsnsgvvsfghlkdvteeefdrvfslntrg
qffvareayrhlteggrivltssntskdfsvpkhslysgskgavdsfvrifskdcgdkki
tvnavapggtvtdmfhevshhyipngtsytaeqrqqmaahasplhrngwpqdvanvvgfl
vskegewvngkvltldggaa

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4fj2B (B:)
mphvenasetyipgrldgkvalvtgsgrgigaavavhlgrlgakvvvnyanstkdaekvv
seikalgsdaiaikadirqvpeivklfdqavahfghldiavsnsgvvsfghlkdvteeef
drvfslntrgqffvareayrhlteggrivltssntskdfsvpkhslysgskgavdsfvri
fskdcgdkkitvnavapggtvtdmfhevshhyipngtsytaeqrqqmaahasplhrngwp
qdvanvvgflvskegewvngkvltldggaa

    Sequence, based on observed residues (ATOM records): (download) 
    >4fj2B (B:)
yipgrldgkvalvtgsgrgigaavavhlgrlgakvvvnyanstkdaekvvseikalgsda
iaikadirqvpeivklfdqavahfghldiavsnsgvvsfghlkdvteeefdrvfslntrg
qffvareayrhlteggrivltssntskdfsvpkhslysgskgavdsfvrifskdcgdkki
tvnavapggtvtdmfhevshhyipngtsytaeqrqqmaahasplhrngwpqdvanvvgfl
vskegewvngkvltldggaa

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4fj2C (C:)
mphvenasetyipgrldgkvalvtgsgrgigaavavhlgrlgakvvvnyanstkdaekvv
seikalgsdaiaikadirqvpeivklfdqavahfghldiavsnsgvvsfghlkdvteeef
drvfslntrgqffvareayrhlteggrivltssntskdfsvpkhslysgskgavdsfvri
fskdcgdkkitvnavapggtvtdmfhevshhyipngtsytaeqrqqmaahasplhrngwp
qdvanvvgflvskegewvngkvltldggaa

    Sequence, based on observed residues (ATOM records): (download) 
    >4fj2C (C:)
pgrldgkvalvtgsgrgigaavavhlgrlgakvvvnyanstkdaekvvseikalgsdaia
ikadirqvpeivklfdqavahfghldiavsnsgvvsfghlkdvteeefdrvfslntrgqf
fvareayrhlteggrivltssntskdfsvpkhslysgskgavdsfvrifskdcgdkkitv
navapggtvtdmfhevshhyipngtsytaeqrqqmaahasplhrngwpqdvanvvgflvs
kegewvngkvltldggaa

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >4fj2D (D:)
mphvenasetyipgrldgkvalvtgsgrgigaavavhlgrlgakvvvnyanstkdaekvv
seikalgsdaiaikadirqvpeivklfdqavahfghldiavsnsgvvsfghlkdvteeef
drvfslntrgqffvareayrhlteggrivltssntskdfsvpkhslysgskgavdsfvri
fskdcgdkkitvnavapggtvtdmfhevshhyipngtsytaeqrqqmaahasplhrngwp
qdvanvvgflvskegewvngkvltldggaa

    Sequence, based on observed residues (ATOM records): (download) 
    >4fj2D (D:)
tyipgrldgkvalvtgsgrgigaavavhlgrlgakvvvnyanstkdaekvvseikalgsd
aiaikadirqvpeivklfdqavahfghldiavsnsgvvsfghlkdvteeefdrvfslntr
gqffvareayrhlteggrivltssntskdfsvpkhslysgskgavdsfvrifskdcgdkk
itvnavapggtvtdmfhevshhyipngtsytaeqrqqmaahasplhrngwpqdvanvvgf
lvskegewvngkvltldggaa