› 3uw6

X-ray diffraction
2.3Å resolution

Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR120

Released:
DOI: 10.2210/pdb3uw6/pdb
PDB entry 3uw6 coloured by chain, front view.
PDB entry 3uw6 coloured by chain, side view.
PDB entry 3uw6 coloured by chain, top view.
Source organism: Geobacillus stearothermophilus
Primary publication:
Computational design of enone-binding proteins with catalytic activity for the Morita-Baylis-Hillman reaction.
Bjelic S, Nivón LG, Çelebi-Ölçüm N, Kiss G, Rosewall CF, Lovick HM, Ingalls EL, Gallaher JL, Seetharaman J, Lew S, Montelione GT, Hunt JF, Michael FE, Houk KN, Baker D
ACS Chem Biol 8 749-57 (2013)
PMID: 23330600

Function and Biology Details

Reaction catalysed: 
L-alanine = D-alanine
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assemblies composition:
homo hexamer
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-145434 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Alanine racemase Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 390 amino acids
Theoretical weight: 44.19 KDa
Source organism: Geobacillus stearothermophilus
Expression system: Escherichia coli
UniProt:
  • Canonical: P10724 (Residues: 1-388; Coverage: 100%)
Gene names: alr, dal
Sequence domains:
Structure domains:

Ligands and Environments

No bound ligands
1 modified residue:
Ligand MSE 30 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X4A
Spacegroup: P41212
Unit cell:
a: 112.348Å b: 112.348Å c: 237.059Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.215 0.215 0.259
Expression system: Escherichia coli

Quick links

Citations

9 review citations

Recent advances in engineering proteins for biocatalysis.
Li et al. (2014)
8 more

1 mention without citation

Computational design of enone-binding proteins with catalytic activity for the Morita-Baylis-Hillman reaction.
Bjelic et al. (2013)