› 4brk

X-ray diffraction
1.5Å resolution

Legionella pneumophila NTPDase1 N302Y variant crystal form III (closed) in complex with MG UMPPNP

Released:
DOI: 10.2210/pdb4brk/pdb
PDB entry 4brk coloured by chain, front view.
PDB entry 4brk coloured by chain, side view.
PDB entry 4brk 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: 41.93 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

5 bound ligands:
Ligand UNP 2 x UNP
Ligand MG 2 x MG
Ligand MES 2 x MES
Ligand GOL 2 x GOL
Ligand CL 3 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.3
Spacegroup: P212121
Unit cell:
a: 80.6Å b: 82.967Å c: 109.578Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.129 0.129 0.178
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