› 3ej0

X-ray diffraction
1.96Å resolution

Crystal structure of inorganic pyrophosphatase from burkholderia pseudomallei with bound N-(pyridin-3-ylmethyl) aniline, H32 crystal form

Released:
DOI: 10.2210/pdb3ej0/pdb
PDB entry 3ej0 coloured by chain, front view.
PDB entry 3ej0 coloured by chain, side view.
PDB entry 3ej0 coloured by chain, top view.
Source organism: Burkholderia pseudomallei 1710b
Primary publication:
The role of medical structural genomics in discovering new drugs for infectious diseases.
Van Voorhis WC, Hol WG, Myler PJ, Stewart LJ
PLoS Comput Biol 5 e1000530 (2009)
PMID: 19855826

Function and Biology Details

Reaction catalysed: 
Diphosphate + H(2)O = 2 phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assemblies composition:
homo hexamer
homo trimer
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-174679 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Inorganic pyrophosphatase Chain: A
Molecule details ›
Chain: A
Length: 196 amino acids
Theoretical weight: 21.47 KDa
Source organism: Burkholderia pseudomallei 1710b
Expression system: Escherichia coli
UniProt:
  • Canonical: Q3JUV5 (Residues: 1-175; Coverage: 100%)
Gene names: BURPS1710b_1237, ppa
Sequence domains: Inorganic pyrophosphatase
Structure domains: Inorganic pyrophosphatase

Ligands and Environments

1 bound ligand:
Ligand 11X 2 x 11X
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: R32
Unit cell:
a: 68.698Å b: 68.698Å c: 191.156Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.201 0.198 0.252
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Microbial genomics and infectious diseases.
Relman DA. (2011)
3 more

3 mentions without citation

The Seattle Structural Genomics Center for Infectious Disease (SSGCID).
Myler et al. (2009)
2 more