› 5k3a

X-ray diffraction
1.51Å resolution

Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/Fluoroacetate - Cocrystallized - Both Protomers Reacted with Ligand

Released:
DOI: 10.2210/pdb5k3a/pdb
PDB entry 5k3a coloured by chain, front view.
PDB entry 5k3a coloured by chain, side view.
PDB entry 5k3a coloured by chain, top view.
Source organism: Rhodopseudomonas palustris CGA009
Primary publication:
The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Kim TH, Mehrabi P, Ren Z, Sljoka A, Ing C, Bezginov A, Ye L, Pomès R, Prosser RS, Pai EF
Science 355 (2017)
PMID: 28104837

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: 34.11 KDa
Source organism: Rhodopseudomonas palustris CGA009
Expression system: Escherichia coli
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

1 bound ligand:
Ligand CL 1 x CL
1 modified residue:
Ligand ASB 2 x ASB

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E DW
Spacegroup: P21
Unit cell:
a: 41.79Å b: 79.08Å c: 85.17Å
α: 90° β: 103.22° γ: 90°
R-values:
R R work R free
0.17 0.168 0.211
Expression system: Escherichia coli

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Citations

11 review citations

SAR by (Protein-Observed) 19F NMR.
Divakaran et al. (2019)
10 more