› 3iiv

X-ray diffraction
1.8Å resolution

Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series

Released:
DOI: 10.2210/pdb3iiv/pdb
PDB entry 3iiv coloured by chain, front view.
PDB entry 3iiv coloured by chain, side view.
PDB entry 3iiv coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series.
Khersonsky O, Röthlisberger D, Dym O, Albeck S, Jackson CJ, Baker D, Tawfik DS
J Mol Biol 396 1025-42 (2010)
PMID: 20036254

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-163659 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
KE7 KE7_R7_1/3H Chains: A, B
Molecule details ›
Chains: A, B
Length: 263 amino acids
Theoretical weight: 29.05 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
Structure domains: Aldolase class I

Ligands and Environments

1 bound ligand:
Ligand MG 1 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM14
Spacegroup: P212121
Unit cell:
a: 38.77Å b: 82.324Å c: 175.4Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.211 0.209 0.247
Expression system: Escherichia coli

Quick links

Citations

41 review citations

Beyond directed evolution--semi-rational protein engineering and design.
Lutz S. (2010)
40 more

1 mention without citation

The evolution of multiple active site configurations in a designed enzyme.
Hong et al. (2018)