PDBe 1rql

X-ray diffraction
2.4Å resolution

Crystal Structure of Phosponoacetaldehyde Hydrolase Complexed with Magnesium and the Inhibitor Vinyl Sulfonate


Function and Biology Details

Reaction catalysed:
Phosphonoacetaldehyde + H(2)O = acetaldehyde + phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Phosphonoacetaldehyde hydrolase Chains: A, B
Molecule details ›
Chains: A, B
Length: 267 amino acids
Theoretical weight: 30.51 KDa
Source organism: Bacillus cereus
Expression system: Escherichia coli
  • Canonical: O31156 (Residues: 1-264; Coverage: 100%)
Gene name: phnX
Sequence domains: Haloacid dehalogenase-like hydrolase
Structure domains:

Ligands and Environments

2 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X12B
Spacegroup: C2
Unit cell:
a: 209.97Å b: 45.27Å c: 64.63Å
α: 90° β: 104.92° γ: 90°
R R work R free
0.227 0.227 0.282
Expression system: Escherichia coli