› 4b79

X-ray diffraction
1.98Å resolution

THE AEROPATH PROJECT AND PSEUDOMONAS AERUGINOSA HIGH-THROUGHPUT CRYSTALLOGRAPHIC STUDIES FOR ASSESSMENT OF POTENTIAL TARGETS IN EARLY STAGE DRUG DISCOVERY.

Released:
DOI: 10.2210/pdb4b79/pdb
PDB entry 4b79 coloured by chain, front view.
PDB entry 4b79 coloured by chain, side view.
PDB entry 4b79 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:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-191072 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Probable short-chain dehydrogenase Chains: A, B
Molecule details ›
Chains: A, B
Length: 242 amino acids
Theoretical weight: 25.71 KDa
Source organism: Pseudomonas aeruginosa PAO1
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9HWT0 (Residues: 1-241; Coverage: 100%)
Gene name: PA4098
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments

1 bound ligand:
Ligand NAD 2 x NAD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: P6422
Unit cell:
a: 103.91Å b: 103.91Å c: 205.52Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.194 0.193 0.213
Expression system: Escherichia coli BL21(DE3)

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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)