› 3umc

X-ray diffraction
2.15Å resolution

Crystal Structure of the L-2-Haloacid Dehalogenase PA0810

Released:
DOI: 10.2210/pdb3umc/pdb
PDB entry 3umc coloured by chain, front view.
PDB entry 3umc coloured by chain, side view.
PDB entry 3umc coloured by chain, top view.
Source organism: Pseudomonas aeruginosa
Entry authors: Petit P, Chan PWY, Savchenko A, Yakunin AF, Edwards EA, Pai EF

Function and Biology Details

Reaction catalysed: 
(S)-2-haloacid + H(2)O = (R)-2-hydroxyacid + halide
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-191411 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
(S)-2-haloacid dehalogenase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 254 amino acids
Theoretical weight: 29.04 KDa
Source organism: Pseudomonas aeruginosa
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9I5C9 (Residues: 1-233; Coverage: 100%)
Gene name: PA0810
Sequence domains: haloacid dehalogenase-like hydrolase
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand CL 4 x CL
Ligand NA 2 x NA
1 modified residue:
Ligand MSE 28 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: C2
Unit cell:
a: 73.424Å b: 123.867Å c: 125.599Å
α: 90° β: 90.97° γ: 90°
R-values:
R R work R free
0.193 0.19 0.236
Expression system: Escherichia coli BL21(DE3)

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