› 2au7

X-ray diffraction
1.05Å resolution

The R43Q active site variant of E.coli inorganic pyrophosphatase

Released:
DOI: 10.2210/pdb2au7/pdb
PDB entry 2au7 coloured by chain, front view.
PDB entry 2au7 coloured by chain, side view.
PDB entry 2au7 coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Reversible inhibition of Escherichia coli inorganic pyrophosphatase by fluoride: trapped catalytic intermediates in cryo-crystallographic studies.
Samygina VR, Moiseev VM, Rodina EV, Vorobyeva NN, Popov AN, Kurilova SA, Nazarova TI, Avaeva SM, Bartunik HD
J Mol Biol 366 1305-17 (2007)
PMID: 17196979

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-532066 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Inorganic pyrophosphatase Chain: A
Molecule details ›
Chain: A
Length: 175 amino acids
Theoretical weight: 19.56 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: P0A7A9 (Residues: 2-176; Coverage: 99%)
Gene names: JW4185, b4226, ppa
Sequence domains: Inorganic pyrophosphatase
Structure domains: Inorganic pyrophosphatase

Ligands and Environments

4 bound ligands:
Ligand PO4 1 x PO4
Ligand MN 5 x MN
Ligand NA 1 x NA
Ligand CL 4 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: MPG/DESY, HAMBURG BEAMLINE BW6
Spacegroup: R32
Unit cell:
a: 110.985Å b: 110.985Å c: 73.054Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.123 0.123 0.153
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Membrane Exporters of Fluoride Ion.
McIlwain et al. (2021)
2 more