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Crystal structure of human 3-alpha hydroxysteroid/dihydrodiol dehydrogenase (AKR1C4) complexed with NADP+

X-ray diffraction
2.4Å resolution
PDB entry 2fvl coloured by chain, front view.
PDB entry 2fvl coloured by chain, side view.
PDB entry 2fvl coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Aldo-keto reductase family 1 member C4
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Multimeric state: monomeric
Accessible surface area: 13892.12 Å2
Buried surface area: 1205.48 Å2
Dissociation area: 602.74 Å2
Dissociation energy (ΔGdiss): 7.12 kcal/mol
Dissociation entropy (TΔSdiss): 6.45 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-148078
Assembly 2
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Assembly Name: Aldo-keto reductase family 1 member C4
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Multimeric state: monomeric
Accessible surface area: 13922.27 Å2
Buried surface area: 1198.75 Å2
Dissociation area: 599.37 Å2
Dissociation energy (ΔGdiss): 7.81 kcal/mol
Dissociation entropy (TΔSdiss): 6.46 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-148078
Assembly 3
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Assembly Name: Aldo-keto reductase family 1 member C4
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Multimeric state: monomeric
Accessible surface area: 13762.98 Å2
Buried surface area: 1201.24 Å2
Dissociation area: 600.62 Å2
Dissociation energy (ΔGdiss): 7.03 kcal/mol
Dissociation entropy (TΔSdiss): 6.46 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-148078

Macromolecules

Aldo-keto reductase family 1 member C4
Chains: A, B, C
Length: 324 amino acids
Theoretical weight: 37.29 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P17516 (Residues: 1-323; Coverage: 100%)
Gene names: AKR1C4, CHDR
Pfam: Aldo/keto reductase family
InterPro:
CATH: NADP-dependent oxidoreductase domain
Aldo-keto reductase family 1 member C4 in PDB entry 2fvl, assembly 1, front view.
Aldo-keto reductase family 1 member C4 in PDB entry 2fvl, assembly 1, side view.
Aldo-keto reductase family 1 member C4 in PDB entry 2fvl, assembly 1, top view.
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