› 3up8

X-ray diffraction
1.96Å resolution

Crystal structure of a putative 2,5-diketo-D-gluconic acid reductase B

Released:
DOI: 10.2210/pdb3up8/pdb
PDB entry 3up8 coloured by chain, front view.
PDB entry 3up8 coloured by chain, side view.
PDB entry 3up8 coloured by chain, top view.
Source organism: Sinorhizobium meliloti 1021
Entry authors: Eswaramoorthy S, Chamala S, Evans B, Foti R, Gizzi A, Hillerich B, Kar A, LaFleur J, Seidel R, Villigas G, Zencheck W, Almo SC, Swaminathan S, New York Structural Genomics Research Consortium (NYSGRC)

Function and Biology Details

Reaction catalysed: 
2-dehydro-D-gluconate + NADP(+) = 2,5-didehydro-D-gluconate + NADPH
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-187913 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NADP-dependent oxidoreductase domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 298 amino acids
Theoretical weight: 33.51 KDa
Source organism: Sinorhizobium meliloti 1021
Expression system: Escherichia coli
UniProt:
  • Canonical: Q92RC6 (Residues: 1-275; Coverage: 100%)
Gene names: SMc00101, dkgB
Sequence domains: Aldo/keto reductase family
Structure domains: NADP-dependent oxidoreductase domain

Ligands and Environments

1 bound ligand:
Ligand ACT 2 x ACT
1 modified residue:
Ligand MSE 18 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X25
Spacegroup: P212121
Unit cell:
a: 57.283Å b: 88.768Å c: 123.638Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.237 0.211 0.24
Expression system: Escherichia coli

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