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Crystal Structure of Human Type III 3-alpha-Hydroxysteroid Dehydrogenase/Bile Acid Binding Protein (AKR1C2) Complexed with NADP+ and Ursodeoxycholate

X-ray diffraction
3Å resolution
PDB entry 1ihi coloured by chain, front view.
PDB entry 1ihi coloured by chain, side view.
PDB entry 1ihi 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 C2
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Multimeric state: monomeric
Accessible surface area: 13401.11 Å2
Buried surface area: 2036.37 Å2
Dissociation area: 412.21 Å2
Dissociation energy (ΔGdiss): -0.06 kcal/mol
Dissociation entropy (TΔSdiss): 4.65 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-156658
Assembly 2
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Assembly Name: Aldo-keto reductase family 1 member C2
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Multimeric state: monomeric
Accessible surface area: 13403.26 Å2
Buried surface area: 2027.07 Å2
Dissociation area: 407.96 Å2
Dissociation energy (ΔGdiss): 0.09 kcal/mol
Dissociation entropy (TΔSdiss): 4.65 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-156658

Macromolecules

Aldo-keto reductase family 1 member C2
Chains: A, B
Length: 323 amino acids
Theoretical weight: 36.79 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P52895 (Residues: 1-323; Coverage: 100%)
Gene names: AKR1C2, DDH2
Pfam: Aldo/keto reductase family
InterPro:
CATH: NADP-dependent oxidoreductase domain
SCOP: Aldo-keto reductases (NADP)
Aldo-keto reductase family 1 member C2 in PDB entry 1ihi, assembly 1, front view.
Aldo-keto reductase family 1 member C2 in PDB entry 1ihi, assembly 1, side view.
Aldo-keto reductase family 1 member C2 in PDB entry 1ihi, assembly 1, top view.
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