› 7ond

X-ray diffraction
1.45Å resolution

HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridine Dye

Released:
DOI: 10.2210/pdb7ond/pdb
PDB entry 7ond coloured by chain, front view.
PDB entry 7ond coloured by chain, side view.
PDB entry 7ond coloured by chain, top view.
Source organism: Rhodococcus sp. (in: high G+C Gram-positive bacteria)
Primary publication:
HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridium Dye.
Miró-Vinyals C, Stein A, Fischer S, Ward TR, Deliz Liang A
Chembiochem 22 3398-3401 (2021)
PMID: 34609782

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-141210 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Haloalkane dehalogenase Chains: A, B
Molecule details ›
Chains: A, B
Length: 303 amino acids
Theoretical weight: 34.42 KDa
Source organism: Rhodococcus sp. (in: high G+C Gram-positive bacteria)
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P0A3G3 (Residues: 1-1, 3-293; Coverage: 100%)
Gene name: dhaA
Sequence domains: alpha/beta hydrolase fold

Ligands and Environments

3 bound ligands:
Ligand VF2 2 x VF2
Ligand CL 2 x CL
Ligand MG 1 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P21
Unit cell:
a: 47.586Å b: 68.558Å c: 81.179Å
α: 90° β: 98.57° γ: 90°
R-values:
R R work R free
0.164 0.162 0.186
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 mention without citation

HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridium Dye.
Miró-Vinyals et al. (2021)