› 8sw8

X-ray diffraction
1.9Å resolution

Crystal Structure of HaloTag7 bound to JF669-HaloTag ligand

Released:
DOI: 10.2210/pdb8sw8/pdb
PDB entry 8sw8 coloured by chain, front view.
PDB entry 8sw8 coloured by chain, side view.
PDB entry 8sw8 coloured by chain, top view.
Source organism: Rhodococcus sp.
Entry authors: Farrants H, Schreiter ER

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-141210 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Haloalkane dehalogenase Chain: AAA
Molecule details ›
Chain: AAA
Length: 304 amino acids
Theoretical weight: 34.53 KDa
Source organism: Rhodococcus sp.
Expression system: Escherichia coli
UniProt:
  • Canonical: P0A3G3 (Residues: 3-293; Coverage: 99%)
Gene name: dhaA
Sequence domains: alpha/beta hydrolase fold

Ligands and Environments

2 bound ligands:
Ligand XSR 1 x XSR
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.2
Spacegroup: P43212
Unit cell:
a: 62.741Å b: 62.741Å c: 163.548Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.194 0.246
Expression system: Escherichia coli

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