› 6zvy

X-ray diffraction
1.4Å resolution

X-RAY STRUCTURE OF THE HALOALKANE DEHALOGENASE HALOTAG7-Q165H-P174R LABELED WITH A CHLOROALKANE-TETRAMETHYLRHODAMINE FLUOROPHORE SUBSTRATE

Released:
DOI: 10.2210/pdb6zvy/pdb
PDB entry 6zvy coloured by chain, front view.
PDB entry 6zvy coloured by chain, side view.
PDB entry 6zvy coloured by chain, top view.
Source organism: Rhodococcus sp.
Primary publication:
Engineered HaloTag variants for fluorescence lifetime multiplexing.
Frei MS, Tarnawski M, Roberti MJ, Koch B, Hiblot J, Johnsson K
Nat Methods 19 65-70 (2022)
PMID: 34916672

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: 293 amino acids
Theoretical weight: 33.3 KDa
Source organism: Rhodococcus sp.
Expression system: Escherichia coli
UniProt:
  • Canonical: P0A3G3 (Residues: 4-293; Coverage: 99%)
Gene name: dhaA
Sequence domains: alpha/beta hydrolase fold

Ligands and Environments

3 bound ligands:
Ligand OEH 2 x OEH
Ligand CL 2 x CL
Ligand GOL 4 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P1
Unit cell:
a: 44.15Å b: 47.34Å c: 78.47Å
α: 97.667° β: 90.193° γ: 113.538°
R-values:
R R work R free
0.163 0.162 0.18
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Genetically encoded fluorescent sensors for metals in biology.
Torres-Ocampo et al. (2023)
2 more

1 mention without citation

Engineered HaloTag variants for fluorescence lifetime multiplexing.
Frei et al. (2022)