› 1swv

X-ray diffraction
2.3Å resolution

Crystal structure of the D12A mutant of phosphonoacetaldehyde hydrolase complexed with magnesium

Released:
DOI: 10.2210/pdb1swv/pdb
PDB entry 1swv coloured by chain, front view.
PDB entry 1swv coloured by chain, side view.
PDB entry 1swv coloured by chain, top view.
Source organism: Bacillus cereus
Primary publication:
Investigation of metal ion binding in phosphonoacetaldehyde hydrolase identifies sequence markers for metal-activated enzymes of the HAD enzyme superfamily.
Zhang G, Morais MC, Dai J, Zhang W, Dunaway-Mariano D, Allen KN
Biochemistry 43 4990-7 (2004)
PMID: 15109258

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-128269 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Phosphonoacetaldehyde hydrolase Chains: A, B
Molecule details ›
Chains: A, B
Length: 267 amino acids
Theoretical weight: 30.45 KDa
Source organism: Bacillus cereus
Expression system: Escherichia coli
UniProt:
  • Canonical: O31156 (Residues: 1-264; Coverage: 100%)
Gene name: phnX
Sequence domains: haloacid dehalogenase-like hydrolase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand MG 2 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU300
Spacegroup: P21
Unit cell:
a: 64.503Å b: 62.553Å c: 73.759Å
α: 90° β: 108.76° γ: 90°
R-values:
R R work R free
0.216 0.216 0.278
Expression system: Escherichia coli

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Citations

18 citation in other articles

A gold standard set of mechanistically diverse enzyme superfamilies.
Brown et al. (2006)
17 more