› 4kaa

X-ray diffraction
2.28Å resolution

Crystal structure of the halotag2 protein at the resolution 2.3A, Northeast Structural Genomics Consortium (NESG) target OR150

Released:
DOI: 10.2210/pdb4kaa/pdb
PDB entry 4kaa coloured by chain, front view.
PDB entry 4kaa coloured by chain, side view.
PDB entry 4kaa coloured by chain, top view.
Source organism: Rhodococcus sp.
Entry authors: Kuzin A, Lew S, Neklesa TK, Noblin D, Seetharaman J, Maglaqui M, Xiao R, Kohan E, Wang H, Everett JK, Acton TB, Montelione GT, Hunt JF, Crews C, Tong L, Northeast Structural Genomics Consortium (NESG)

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: 306 amino acids
Theoretical weight: 34.99 KDa
Source organism: Rhodococcus sp.
Expression system: Not provided
UniProt:
  • Canonical: P0A3G3 (Residues: 2-293; Coverage: 100%)
Gene name: dhaA
Sequence domains: alpha/beta hydrolase fold
Structure domains: alpha/beta hydrolase

Ligands and Environments

2 bound ligands:
Ligand NA 2 x NA
Ligand PEG 1 x PEG
1 modified residue:
Ligand MSE 16 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X4A
Spacegroup: P212121
Unit cell:
a: 69.63Å b: 91.262Å c: 98.157Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.17 0.167 0.232
Expression system: Not provided

Quick links