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AN ANION BINDING SITE IN HUMAN ALDOSE REDUCTASE: MECHANISTIC IMPLICATIONS FOR THE BINDING OF CITRATE, CACODYLATE, AND GLUCOSE-6-PHOSPHATE

X-ray diffraction
1.76Å resolution
PDB entry 2acs coloured by chain, front view.
PDB entry 2acs coloured by chain, side view.
PDB entry 2acs 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 B1
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Multimeric state: monomeric
Accessible surface area: 13009.75 Å2
Buried surface area: 1702.34 Å2
Dissociation area: 248.91 Å2
Dissociation energy (ΔGdiss): -1.52 kcal/mol
Dissociation entropy (TΔSdiss): 2.83 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-147224

Macromolecules

Aldo-keto reductase family 1 member B1
Chain: A
Length: 315 amino acids
Theoretical weight: 35.77 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P15121 (Residues: 2-316; Coverage: 100%)
Gene names: AKR1B1, ALDR1, ALR2
Pfam: Aldo/keto reductase family
InterPro:
CATH: NADP-dependent oxidoreductase domain
SCOP: Aldo-keto reductases (NADP)
Aldo-keto reductase family 1 member B1 in PDB entry 2acs, assembly 1, front view.
Aldo-keto reductase family 1 member B1 in PDB entry 2acs, assembly 1, side view.
Aldo-keto reductase family 1 member B1 in PDB entry 2acs, assembly 1, top view.
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