› 4gca

X-ray diffraction
0.9Å resolution

Complex of Aldose Reductase with inhibitor IDD 1219

Released:
DOI: 10.2210/pdb4gca/pdb
PDB entry 4gca coloured by chain, front view.
PDB entry 4gca coloured by chain, side view.
PDB entry 4gca coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Podjarny AD, Van Zandt M, Geraci LS

Function and Biology Details

Reactions catalysed: 
Alditol + NAD(P)(+) = aldose + NAD(P)H
All-trans-retinol + NADP(+) = all-trans-retinal + NADPH
Glycerol + NADP(+) = D-glyceraldehyde + NADPH
Allyl alcohol + NADP(+) = acrolein + NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147224 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aldo-keto reductase family 1 member B1 Chain: A
Molecule details ›
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
Sequence domains: Aldo/keto reductase family
Structure domains: NADP-dependent oxidoreductase domain

Ligands and Environments


Cofactor: Ligand NAP 1 x NAP
1 bound ligand:
Ligand 2X9 1 x 2X9
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P1
Unit cell:
a: 47.102Å b: 47.218Å c: 39.953Å
α: 67.83° β: 76.96° γ: 76.15°
R-values:
R R work R free
0.134 0.134 0.145
Expression system: Escherichia coli

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