› 3i98

X-ray diffraction
1.85Å resolution

X-ray crystallographic structure of Inorganic Pyrophosphatase at 298K from archaeon Thermococcus thioreducens

Released:
DOI: 10.2210/pdb3i98/pdb
PDB entry 3i98 coloured by chain, front view.
PDB entry 3i98 coloured by chain, side view.
PDB entry 3i98 coloured by chain, top view.
Source organism: Thermococcus thioreducens
Entry authors: Hughes RC, Coates L, Meehan EJ, Ng JD

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-124704 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Inorganic pyrophosphatase Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 178 amino acids
Theoretical weight: 20.88 KDa
Source organism: Thermococcus thioreducens
Expression system: Escherichia coli
UniProt:
  • Canonical: H0USY5 (Residues: 1-178; Coverage: 100%)
Gene names: A3L14_01550, SAMN05216170_1971, ppa
Sequence domains: Inorganic pyrophosphatase
Structure domains: Inorganic pyrophosphatase

Ligands and Environments

4 bound ligands:
Ligand MRD 2 x MRD
Ligand CA 6 x CA
Ligand MPD 1 x MPD
Ligand ACE 1 x ACE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: C2
Unit cell:
a: 106.112Å b: 95.464Å c: 113.677Å
α: 90° β: 98.12° γ: 90°
R-values:
R R work R free
0.15 0.148 0.184
Expression system: Escherichia coli

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