3afn

X-ray diffraction
1.63Å resolution

Crystal structure of aldose reductase A1-R complexed with NADP

Released:

Function and Biology Details

Reaction catalysed:
2-dehydro-3-deoxy-D-gluconate + NADP(+) = (4S,5S)-4,5-dihydroxy-2,6-dioxohexanoate + NADPH
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-112811 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carbonyl reductase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 258 amino acids
Theoretical weight: 26.98 KDa
Source organism: Sphingomonas sp. A1
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: D6RU56 (Residues: 1-258; Coverage: 100%)
Gene name: a1-R
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NAP 4 x NAP
1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL38B1
Spacegroup: P1
Unit cell:
a: 60.404Å b: 64.195Å c: 74.441Å
α: 80.15° β: 66.08° γ: 64.98°
R-values:
R R work R free
0.174 0.172 0.209
Expression system: Escherichia coli BL21(DE3)