› 3r3w

X-ray diffraction
1.6Å resolution

Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Chloroacetate

Released:
DOI: 10.2210/pdb3r3w/pdb
PDB entry 3r3w coloured by chain, front view.
PDB entry 3r3w coloured by chain, side view.
PDB entry 3r3w coloured by chain, top view.
Source organism: Rhodopseudomonas palustris
Primary publication:
Mapping the reaction coordinates of enzymatic defluorination.
Chan PW, Yakunin AF, Edwards EA, Pai EF
J Am Chem Soc 133 7461-8 (2011)
PMID: 21510690

Function and Biology Details

Reaction catalysed: 
Haloacetate + H(2)O = glycolate + halide
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-179995 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Fluoroacetate dehalogenase Chains: A, B
Molecule details ›
Chains: A, B
Length: 306 amino acids
Theoretical weight: 34.07 KDa
Source organism: Rhodopseudomonas palustris
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q6NAM1 (Residues: 1-302; Coverage: 100%)
Gene name: RPA1163
Sequence domains: alpha/beta hydrolase fold
Structure domains: alpha/beta hydrolase

Ligands and Environments

3 bound ligands:
Ligand R3W 1 x R3W
Ligand CA 1 x CA
Ligand CL 5 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P21
Unit cell:
a: 42.03Å b: 79.77Å c: 85.18Å
α: 90° β: 103.22° γ: 90°
R-values:
R R work R free
0.181 0.179 0.223
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

7 review citations

Highlights on contemporary recognition and sensing of fluoride anion in solution and in the solid state.
Cametti et al. (2013)
6 more

1 mention without citation

Mapping the reaction coordinates of enzymatic defluorination.
Chan et al. (2011)