› 3uzj

X-ray diffraction
1.69Å resolution

Designed protein KE59 R13 3/11H with benzotriazole

Released:
DOI: 10.2210/pdb3uzj/pdb
PDB entry 3uzj coloured by chain, front view.
PDB entry 3uzj coloured by chain, side view.
PDB entry 3uzj coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Khersonsky O, Kiss G, Röthlisberger D, Dym O, Albeck S, Houk KN, Baker D, Tawfik DS
Proc Natl Acad Sci U S A 109 10358-63 (2012)
PMID: 22685214

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-164139 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Kemp eliminase KE59 R13 3/11H Chains: A, B
Molecule details ›
Chains: A, B
Length: 252 amino acids
Theoretical weight: 28.76 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
Structure domains: Aldolase class I

Ligands and Environments

2 bound ligands:
Ligand 0CT 2 x 0CT
Ligand PO4 3 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: P21212
Unit cell:
a: 95.922Å b: 123.762Å c: 45.642Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.198 0.196 0.236
Expression system: Escherichia coli

Quick links

Citations

44 review citations

Computational enzyme design.
Kiss et al. (2013)
43 more

1 mention without citation

Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Khersonsky et al. (2012)