› 3ixl

X-ray diffraction
1.45Å resolution

Crystal structure of the Gly74Cys-Cys188Ser mutant of arylmalonate decarboxylase in the liganded form

Released:
DOI: 10.2210/pdb3ixl/pdb
PDB entry 3ixl coloured by chain, front view.
PDB entry 3ixl coloured by chain, side view.
PDB entry 3ixl coloured by chain, top view.
Source organism: Bordetella bronchiseptica
Primary publication:
Structural basis for inverting the enantioselectivity of arylmalonate decarboxylase revealed by the structural analysis of the Gly74Cys/Cys188Ser mutant in the liganded form.
Obata R, Nakasako M
Biochemistry 49 1963-9 (2010)
PMID: 20136121

Function and Biology Details

Reaction catalysed: 
2-aryl-2-methylmalonate = 2-arylpropanoate + CO(2)
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-170136 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Arylmalonate decarboxylase Chain: A
Molecule details ›
Chain: A
Length: 240 amino acids
Theoretical weight: 24.86 KDa
Source organism: Bordetella bronchiseptica
Expression system: Escherichia coli
UniProt:
  • Canonical: Q05115 (Residues: 1-240; Coverage: 100%)
Sequence domains: Arylmalonate decarboxylase
Structure domains: Rossmann fold

Ligands and Environments

3 bound ligands:
Ligand SO4 1 x SO4
Ligand PAC 1 x PAC
Ligand GOL 1 x GOL
1 modified residue:
Ligand CME 1 x CME

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL26B1
Unit cell:
a: 38.392Å b: 63.353Å c: 82.413Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.172 0.171 0.193
Expression system: Escherichia coli

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Citations

2 review citations

Computational tools for the evaluation of laboratory-engineered biocatalysts.
Romero-Rivera et al. (2016)
1 more