› 4brf

X-ray diffraction
1.6Å resolution

Legionella pneumophila NTPDase1 crystal form II (closed) in complex with a distorted orthomolybdate ion and AMP

Released:
DOI: 10.2210/pdb4brf/pdb
PDB entry 4brf coloured by chain, front view.
PDB entry 4brf coloured by chain, side view.
PDB entry 4brf coloured by chain, top view.
Source organism: Legionella pneumophila
Primary publication:
Crystallographic snapshots along the reaction pathway of nucleoside triphosphate diphosphohydrolases.
Zebisch M, Krauss M, Schäfer P, Lauble P, Sträter N
Structure 21 1460-75 (2013)
PMID: 23830739

Function and Biology Details

Reaction catalysed: 
(1a) a nucleoside 5'-triphosphate + H(2)O = a nucleoside 5'-diphosphate + phosphate
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-178644 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Ectonucleoside triphosphate diphosphohydrolase I Chains: A, B
Molecule details ›
Chains: A, B
Length: 368 amino acids
Theoretical weight: 41.88 KDa
Source organism: Legionella pneumophila
Expression system: Escherichia coli
UniProt:
  • Canonical: Q5ZUA2 (Residues: 35-393; Coverage: 91%)
Gene name: lpg1905
Sequence domains: GDA1/CD39 (nucleoside phosphatase) family
Structure domains:

Ligands and Environments

9 bound ligands:
Ligand MOO 2 x MOO
Ligand MG 6 x MG
Ligand MES 2 x MES
Ligand NA 1 x NA
Ligand GOL 2 x GOL
Ligand M27 1 x M27
Ligand EDO 1 x EDO
Ligand CL 2 x CL
Ligand AMP 1 x AMP
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P21
Unit cell:
a: 62.144Å b: 85.97Å c: 71.888Å
α: 90° β: 106.14° γ: 90°
R-values:
R R work R free
0.126 0.125 0.184
Expression system: Escherichia coli

Quick links

Citations

5 review citations

The use of polyoxometalates in protein crystallography - An attempt to widen a well-known bottleneck.
Bijelic et al. (2015)
4 more