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Crystal Structure of the ternary complex between a fungal 17beta-hydroxysteroid dehydrogenase (Holo form) and genistein

X-ray diffraction
2.3Å resolution
PDB entry 4fj1 coloured by chain, front view.
PDB entry 4fj1 coloured by chain, side view.
PDB entry 4fj1 coloured by chain, top view.
Source organism: Curvularia lunata
Assemblies composition:
homo dimer (preferred)
homo tetramer
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: 17beta-hydroxysteroid dehydrogenase
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Multimeric state: homo dimer
Accessible surface area: 19461.37 Å2
Buried surface area: 8163.43 Å2
Dissociation area: 1,813.54 Å2
Dissociation energy (ΔGdiss): 20.1 kcal/mol
Dissociation entropy (TΔSdiss): 13.35 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-131691
Assembly 2
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Assembly Name: 17beta-hydroxysteroid dehydrogenase
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Multimeric state: homo dimer
Accessible surface area: 19376.33 Å2
Buried surface area: 8601.64 Å2
Dissociation area: 1,806.59 Å2
Dissociation energy (ΔGdiss): 20.45 kcal/mol
Dissociation entropy (TΔSdiss): 13.35 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-131691
Assembly 3
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Assembly Name: 17beta-hydroxysteroid dehydrogenase
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Multimeric state: homo tetramer
Accessible surface area: 31700.73 Å2
Buried surface area: 23902.04 Å2
Dissociation area: 3,764.74 Å2
Dissociation energy (ΔGdiss): 52.69 kcal/mol
Dissociation entropy (TΔSdiss): 15.1 kcal/mol
Symmetry number: 4
PDBe Complex ID: PDB-CPX-131692

Macromolecules

17beta-hydroxysteroid dehydrogenase
Chains: A, B, C, D
Length: 270 amino acids
Theoretical weight: 28.94 KDa
Source organism: Curvularia lunata
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: O93874 (Residues: 1-270; Coverage: 100%)
Gene name: 17HSDcl
Pfam: Enoyl-(Acyl carrier protein) reductase
InterPro:
CATH: NAD(P)-binding Rossmann-like Domain
17beta-hydroxysteroid dehydrogenase in PDB entry 4fj1, assembly 1, front view.
17beta-hydroxysteroid dehydrogenase in PDB entry 4fj1, assembly 1, side view.
17beta-hydroxysteroid dehydrogenase in PDB entry 4fj1, assembly 1, top view.
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