› 7zbd

X-ray diffraction
1.68Å resolution

HaloTag with TRaQ-G ligand

Released:
DOI: 10.2210/pdb7zbd/pdb
PDB entry 7zbd coloured by chain, front view.
PDB entry 7zbd coloured by chain, side view.
PDB entry 7zbd coloured by chain, top view.
Source organism: Rhodococcus sp.
Primary publication:
A locally activatable sensor for robust quantification of organellar glutathione.
Emmert S, Quargnali G, Thallmair S, Rivera-Fuentes P
Nat Chem (2023)
PMID: 37322101

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: 34.47 KDa
Source organism: Rhodococcus sp.
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P0A3G3 (Residues: 1-290; Coverage: 99%)
Gene name: dhaA
Sequence domains: alpha/beta hydrolase fold

Ligands and Environments

4 bound ligands:
Ligand GOL 2 x GOL
Ligand ILQ 1 x ILQ
Ligand CL 2 x CL
Ligand ILU 1 x ILU
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: C2
Unit cell:
a: 166.905Å b: 50.46Å c: 79.476Å
α: 90° β: 117.74° γ: 90°
R-values:
R R work R free
0.188 0.186 0.222
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 citations in other articles

Molecular Engineering of Sulfone-Xanthone Chromophore for Enhanced Fluorescence Navigation.
Zhang et al. (2023)

1 mention without citation

A locally activatable sensor for robust quantification of organellar glutathione.
Emmert et al. (2023)