› 6y7b

X-ray diffraction
3.1Å resolution

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

Released:
DOI: 10.2210/pdb6y7b/pdb
PDB entry 6y7b coloured by chain, front view.
PDB entry 6y7b coloured by chain, side view.
PDB entry 6y7b 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 Chains: A, B, C, D, E
Molecule details ›
Chains: A, B, C, D, E
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

2 bound ligands:
Ligand OEK 5 x OEK
Ligand CL 5 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P321
Unit cell:
a: 161.27Å b: 161.27Å c: 124.66Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.21 0.207 0.259
Expression system: Escherichia coli

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Citations

6 review citations

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Liu et al. (2023)
5 more

3 mentions without citation

Estrogen Receptor Modulators in Viral Infections Such as SARS-CoV-2: Therapeutic Consequences.
Abramenko et al. (2021)
2 more