› 4wgh

X-ray diffraction
1.8Å resolution

Crystal structure of aldo/keto reductase from Klebsiella pneumoniae in complex with NADP and acetate at 1.8 A resolution

Released:
DOI: 10.2210/pdb4wgh/pdb
PDB entry 4wgh coloured by chain, front view.
PDB entry 4wgh coloured by chain, side view.
PDB entry 4wgh coloured by chain, top view.
Source organism: Klebsiella pneumoniae
Entry authors: Bacal P, Shabalin IG, Cooper DR, Hillerich BS, Zimmerman MD, Chowdhury S, Hammonds J, Al Obaidi N, Gizzi A, Bonanno J, Seidel R, Almo SC, Minor W, New York Structural Genomics Research Consortium (NYSGRC)

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-165323 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aldehyde reductase Chain: A
Molecule details ›
Chain: A
Length: 306 amino acids
Theoretical weight: 34.77 KDa
Source organism: Klebsiella pneumoniae
Expression system: Escherichia coli BL21(DE3)
Structure domains: NADP-dependent oxidoreductase domain

Ligands and Environments

2 bound ligands:
Ligand NAP 1 x NAP
Ligand ACT 1 x ACT
1 modified residue:
Ligand MSE 11 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P62
Unit cell:
a: 99.483Å b: 99.483Å c: 55.181Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.147 0.145 0.185
Expression system: Escherichia coli BL21(DE3)

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