› 6sp8

X-ray diffraction
1.55Å resolution

Structure of hyperstable haloalkane dehalogenase variant DhaA115 prepared by the 'soak-and-freeze' method under 150 bar of krypton pressure

Released:
DOI: 10.2210/pdb6sp8/pdb
PDB entry 6sp8 coloured by chain, front view.
PDB entry 6sp8 coloured by chain, side view.
PDB entry 6sp8 coloured by chain, top view.
Source organism: Rhodococcus rhodochrous
Primary publication:
Decoding the intricate network of molecular interactions of a hyperstable engineered biocatalyst.
Markova K, Chmelova K, Marques SM, Carpentier P, Bednar D, Damborsky J, Marek M
Chem Sci 11 11162-11178 (2020)
PMID: 34094357

Function and Biology Details

Reaction catalysed: 
1-haloalkane + H(2)O = a primary alcohol + halide
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-141208 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Haloalkane dehalogenase Chains: A, B
Molecule details ›
Chains: A, B
Length: 291 amino acids
Theoretical weight: 33.4 KDa
Source organism: Rhodococcus rhodochrous
Expression system: Escherichia coli
UniProt:
  • Canonical: P0A3G2 (Residues: 3-293; Coverage: 99%)
Gene name: dhaA
Sequence domains: alpha/beta hydrolase fold

Ligands and Environments

4 bound ligands:
Ligand KR 21 x KR
Ligand SCN 6 x SCN
Ligand B3P 2 x B3P
Ligand GOL 8 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P212121
Unit cell:
a: 67.978Å b: 82.045Å c: 144.176Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.161 0.16 0.181
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Learning Strategies in Protein Directed Evolution.
Cadet et al. (2022)
3 other articles

1 mention without citation

Decoding the intricate network of molecular interactions of a hyperstable engineered biocatalyst.
Markova et al. (2020)