› 5vnp

X-ray diffraction
2.23Å resolution

X-ray crystal structure of Halotag bound to the P1 benzoxadiazole fluorogenic ligand

Released:
DOI: 10.2210/pdb5vnp/pdb
PDB entry 5vnp coloured by chain, front view.
PDB entry 5vnp coloured by chain, side view.
PDB entry 5vnp coloured by chain, top view.
Source organism: Rhodococcus rhodochrous
Primary publication:
AgHalo: A Facile Fluorogenic Sensor to Detect Drug-Induced Proteome Stress.
Liu Y, Fares M, Dunham NP, Gao Z, Miao K, Jiang X, Bollinger SS, Boal AK, Zhang X
Angew Chem Int Ed Engl 56 8672-8676 (2017)
PMID: 28557281

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-141208 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Haloalkane dehalogenase Chains: A, B
Molecule details ›
Chains: A, B
Length: 290 amino acids
Theoretical weight: 32.93 KDa
Source organism: Rhodococcus rhodochrous
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P0A3G2 (Residues: 4-293; Coverage: 99%)
Gene name: dhaA
Sequence domains: alpha/beta hydrolase fold
Structure domains: alpha/beta hydrolase

Ligands and Environments

2 bound ligands:
Ligand 9FM 2 x 9FM
Ligand CL 2 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P21
Unit cell:
a: 44.272Å b: 69.481Å c: 88.95Å
α: 90° β: 95.82° γ: 90°
R-values:
R R work R free
0.199 0.198 0.229
Expression system: Escherichia coli BL21

Quick links

Citations

8 review citations

Visualizing and Manipulating Biological Processes by Using HaloTag and SNAP-Tag Technologies.
Hoelzel et al. (2020)
7 more

4 mentions without citation

Labeling Strategies Matter for Super-Resolution Microscopy: A Comparison between HaloTags and SNAP-tags.
Erdmann et al. (2019)
3 more