› 6y7a

X-ray diffraction
1.4Å resolution

X-ray structure of the Haloalkane dehalogenase HaloTag7 labeled with a chloroalkane-tetramethylrhodamine fluorophore substrate

Released:
DOI: 10.2210/pdb6y7a/pdb
PDB entry 6y7a coloured by chain, front view.
PDB entry 6y7a coloured by chain, side view.
PDB entry 6y7a coloured by chain, top view.
Source organism: Rhodococcus sp.
Primary publication:
Kinetic and Structural Characterization of the Self-Labeling Protein Tags HaloTag7, SNAP-tag, and CLIP-tag.
Wilhelm J, Kühn S, Tarnawski M, Gotthard G, Tünnermann J, Tänzer T, Karpenko J, Mertes N, Xue L, Uhrig U, Reinstein J, Hiblot J, Johnsson K
Biochemistry 60 2560-2575 (2021)
PMID: 34339177

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 Chain: A
Molecule details ›
Chain: A
Length: 293 amino acids
Theoretical weight: 33.23 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 1 x OEH
Ligand CL 1 x CL
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P21
Unit cell:
a: 44Å b: 78.14Å c: 45.24Å
α: 90° β: 119.966° γ: 90°
R-values:
R R work R free
0.157 0.156 0.187
Expression system: Escherichia coli

Quick links

Citations

6 review citations

Choosing the Probe for Single-Molecule Fluorescence Microscopy.
Schirripa Spagnolo et al. (2022)
5 more

4 mentions without citation

Kinetic and Structural Characterization of the Self-Labeling Protein Tags HaloTag7, SNAP-tag, and CLIP-tag.
Wilhelm et al. (2021)
3 more