› 4kaf

X-ray diffraction
1.5Å resolution

Crystal Structure of Haloalkane dehalogenase HaloTag7 at the resolution 1.5A, Northeast Structural Genomics Consortium (NESG) Target OR151

Released:
DOI: 10.2210/pdb4kaf/pdb
PDB entry 4kaf coloured by chain, front view.
PDB entry 4kaf coloured by chain, side view.
PDB entry 4kaf coloured by chain, top view.
Source organism: Rhodococcus sp.
Entry authors: Kuzin AP, Lew S, Neklesa TK, Noblin D, Seetharaman J, Maglaqui M, Xiao R, Kohan E, Wang H, Everett JK, Acton TB, Kornhaber G, Montelione GT, 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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-141211 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Haloalkane dehalogenase Chains: A, B
Molecule details ›
Chains: A, B
Length: 307 amino acids
Theoretical weight: 35.32 KDa
Source organism: Rhodococcus sp.
Expression system: Not provided
UniProt:
  • Canonical: P0A3G3 (Residues: 3-293; Coverage: 99%)
Gene name: dhaA
Sequence domains: alpha/beta hydrolase fold
Structure domains: alpha/beta hydrolase

Ligands and Environments

4 bound ligands:
Ligand SCN 2 x SCN
Ligand NA 6 x NA
Ligand EDO 2 x EDO
Ligand PEG 1 x PEG
1 modified residue:
Ligand MSE 18 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X4A
Spacegroup: P212121
Unit cell:
a: 68.93Å b: 94.8Å c: 100.502Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.149 0.148 0.165
Expression system: Not provided

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