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› 3quq

X-ray diffraction
1.65Å resolution

Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, an open cap conformation

Released:
DOI: 10.2210/pdb3quq/pdb
Model geometry
Fit model/data
PDB entry 3quq coloured by chain, front view.
PDB entry 3quq coloured by chain, side view.
PDB entry 3quq coloured by chain, top view.
Source organism: Bacteroides thetaiotaomicron
Primary publication:
Divergence of structure and function in the haloacid dehalogenase enzyme superfamily: Bacteroides thetaiotaomicron BT2127 is an inorganic pyrophosphatase.
Huang H, Patskovsky Y, Toro R, Farelli JD, Pandya C, Almo SC, Allen KN, Dunaway-Mariano D
Biochemistry 50 8937-49 (2011)
PMID: 21894910

Function and Biology Details

Reaction catalysed: 
diphosphate + H2O = 2 phosphate + H(+).
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-183703 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-phosphoglucomutase Chain: A
Molecule details ›
Chain: A
Length: 243 amino acids
Theoretical weight: 27.01 KDa
Source organism: Bacteroides thetaiotaomicron
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8A5V9 (Residues: 1-224; Coverage: 100%)
Gene name: BT_2127
Sequence domains: Haloacid dehalogenase-like hydrolase
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand MG 2 x MG
Ligand FMT 2 x FMT
Ligand CL 1 x CL
Ligand UNL 1 x UNL
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P212121
Unit cell:
a: 45.203Å b: 65.336Å c: 75.617Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.164 0.163 0.178
Expression system: Escherichia coli

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Citations

5 review citations

Enzyme promiscuity: engine of evolutionary innovation.
Pandya et al. (2014)
4 more

1 mention without citation

Divergence of structure and function in the haloacid dehalogenase enzyme superfamily: Bacteroides thetaiotaomicron BT2127 is an inorganic pyrophosphatase.
Huang et al. (2011)