› 3iip

X-ray diffraction
2.3Å resolution

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

Released:
DOI: 10.2210/pdb3iip/pdb
PDB entry 3iip coloured by chain, front view.
PDB entry 3iip coloured by chain, side view.
PDB entry 3iip 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-163658 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
KE7 R6 3/7F Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 256 amino acids
Theoretical weight: 28.2 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
Structure domains: Aldolase class I

Ligands and Environments

1 bound ligand:
Ligand 15P 3 x 15P
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: P31
Unit cell:
a: 106.874Å b: 106.874Å c: 127.659Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.22 0.218 0.266
Expression system: Escherichia coli

Quick links

Citations

43 review citations

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

2 mentions without citation

Exploring challenges in rational enzyme design by simulating the catalysis in artificial kemp eliminase.
Frushicheva et al. (2010)
1 more