› 4exa

X-ray diffraction
2.8Å resolution

Crystal structure of the PA4992, the putative aldo-keto reductase from Pseudomona aeruginosa

Released:
DOI: 10.2210/pdb4exa/pdb
PDB entry 4exa coloured by chain, front view.
PDB entry 4exa coloured by chain, side view.
PDB entry 4exa coloured by chain, top view.
Source organism: Pseudomonas aeruginosa PAO1
Primary publication:
The AEROPATH project targeting Pseudomonas aeruginosa: crystallographic studies for assessment of potential targets in early-stage drug discovery.
Moynie L, Schnell R, McMahon SA, Sandalova T, Boulkerou WA, Schmidberger JW, Alphey M, Cukier C, Duthie F, Kopec J, Liu H, Jacewicz A, Hunter WN, Naismith JH, Schneider G
Acta Crystallogr Sect F Struct Biol Cryst Commun 69 25-34 (2013)
PMID: 23295481

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-190958 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NADP-dependent oxidoreductase domain-containing protein Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 292 amino acids
Theoretical weight: 31.63 KDa
Source organism: Pseudomonas aeruginosa PAO1
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q9HUH3 (Residues: 1-270; Coverage: 100%)
Gene name: PA4992
Sequence domains: Aldo/keto reductase family
Structure domains: NADP-dependent oxidoreductase domain

Ligands and Environments

2 bound ligands:
Ligand NAP 6 x NAP
Ligand EPE 2 x EPE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: P212121
Unit cell:
a: 94.17Å b: 120.277Å c: 151.113Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.229 0.227 0.272
Expression system: Escherichia coli BL21

Quick links

Citations

4 review citations

Lytic transglycosylases: concinnity in concision of the bacterial cell wall.
Dik et al. (2017)
3 more

1 mention without citation

The AEROPATH project targeting Pseudomonas aeruginosa: crystallographic studies for assessment of potential targets in early-stage drug discovery.
Moynie et al. (2013)