› 4kyv

X-ray diffraction
1.8Å resolution

Crystal Structure of dehalogenase HaloTag2 with HALTS at the resolution 1.8A. Northeast Structural Genomics Consortium (NESG) Target OR150

Released:
DOI: 10.2210/pdb4kyv/pdb
PDB entry 4kyv coloured by chain, front view.
PDB entry 4kyv coloured by chain, side view.
PDB entry 4kyv coloured by chain, top view.
Source organism: synthetic construct
Entry authors: Kuzin A, Lew S, Seetharaman J, Maglaqui M, Xiao R, Kohan E, Wang H, Everett JK, Acton TB, Kornhaber G, Montelione GT, Hunt JF, Tong L, Northeast Structural Genomics Consortium (NESG)

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-164715 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
dehalogenase HaloTag2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 306 amino acids
Theoretical weight: 34.95 KDa
Source organism: synthetic construct
Expression system: Escherichia coli BL21(DE3)
Structure domains: alpha/beta hydrolase

Ligands and Environments

2 bound ligands:
Ligand 1Q9 2 x 1Q9
Ligand NA 4 x NA
1 modified residue:
Ligand MSE 16 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X4A
Spacegroup: P21
Unit cell:
a: 42.938Å b: 94.77Å c: 73.483Å
α: 90° β: 93.11° γ: 90°
R-values:
R R work R free
0.154 0.153 0.188
Expression system: Escherichia coli BL21(DE3)

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