› 6qkw

X-ray diffraction
1.51Å resolution

Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Fluoroacetate soaked 2hr

Released:
DOI: 10.2210/pdb6qkw/pdb
PDB entry 6qkw coloured by chain, front view.
PDB entry 6qkw coloured by chain, side view.
PDB entry 6qkw coloured by chain, top view.
Source organism: Rhodopseudomonas palustris
Primary publication:
Substrate-Based Allosteric Regulation of a Homodimeric Enzyme.
Mehrabi P, Di Pietrantonio C, Kim TH, Sljoka A, Taverner K, Ing C, Kruglyak N, Pomès R, Pai EF, Prosser RS
J Am Chem Soc 141 11540-11556 (2019)
PMID: 31188575

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: 34.06 KDa
Source organism: Rhodopseudomonas palustris
Expression system: Escherichia coli
UniProt:
  • Canonical: Q6NAM1 (Residues: 1-302; Coverage: 100%)
Gene name: RPA1163
Sequence domains: alpha/beta hydrolase fold

Ligands and Environments

3 bound ligands:
Ligand CL 1 x CL
Ligand FAH 2 x FAH
Ligand GOA 1 x GOA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E DW
Spacegroup: P21
Unit cell:
a: 41.75Å b: 79.37Å c: 85.01Å
α: 90° β: 103.01° γ: 90°
R-values:
R R work R free
0.17 0.169 0.195
Expression system: Escherichia coli

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Citations

1 review citation

Mutexa: A Computational Ecosystem for Intelligent Protein Engineering.
Yang et al. (2023)
8 other articles