› 7zix

X-ray diffraction
2.39Å resolution

X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a butylmethanesulfonamide tetramethylrhodamine ligand (TMR-S4)

Released:
DOI: 10.2210/pdb7zix/pdb
PDB entry 7zix coloured by chain, front view.
PDB entry 7zix coloured by chain, side view.
PDB entry 7zix coloured by chain, top view.
Source organism: Rhodococcus sp.
Entry authors: Tarnawski M, Kompa J, Johnsson K, Hiblot J

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: 33.23 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

1 bound ligand:
Ligand IYU 2 x IYU
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P21
Unit cell:
a: 44.227Å b: 78.399Å c: 81.623Å
α: 90° β: 92.571° γ: 90°
R-values:
R R work R free
0.198 0.197 0.222
Expression system: Escherichia coli

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