› 3um9

X-ray diffraction
2.19Å resolution

Crystal Structure of the Defluorinating L-2-Haloacid Dehalogenase Bpro0530

Released:
DOI: 10.2210/pdb3um9/pdb
PDB entry 3um9 coloured by chain, front view.
PDB entry 3um9 coloured by chain, side view.
PDB entry 3um9 coloured by chain, top view.
Source organism: Polaromonas sp. JS666
Entry authors: 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-171475 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
(S)-2-haloacid dehalogenase Chains: A, B
Molecule details ›
Chains: A, B
Length: 230 amino acids
Theoretical weight: 25.53 KDa
Source organism: Polaromonas sp. JS666
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q12G50 (Residues: 1-229; Coverage: 100%)
Gene name: Bpro_0530
Sequence domains: haloacid dehalogenase-like hydrolase
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand NI 2 x NI
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P65
Unit cell:
a: 96.64Å b: 96.64Å c: 92.03Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.147 0.144 0.199
Expression system: Escherichia coli BL21(DE3)

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