› 3npw

X-ray diffraction
2.14Å resolution

In silico designed of an improved Kemp eliminase KE70 mutant by computational design and directed evolution

Released:
DOI: 10.2210/pdb3npw/pdb
PDB entry 3npw coloured by chain, front view.
PDB entry 3npw coloured by chain, side view.
PDB entry 3npw coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution.
Khersonsky O, Röthlisberger D, Wollacott AM, Murphy P, Dym O, Albeck S, Kiss G, Houk KN, Baker D, Tawfik DS
J Mol Biol 407 391-412 (2011)
PMID: 21277311

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-163815 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
deoxyribose phosphate aldolase Chains: A, B
Molecule details ›
Chains: A, B
Length: 264 amino acids
Theoretical weight: 28.01 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
Structure domains: Aldolase class I

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU300
Spacegroup: P212121
Unit cell:
a: 52.386Å b: 82.872Å c: 127.964Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.222 0.22 0.259
Expression system: Escherichia coli

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Citations

37 review citations

Methods for the directed evolution of proteins.
Packer et al. (2015)
36 more

1 mention without citation

Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution.
Khersonsky et al. (2011)