› 3nqv

X-ray diffraction
1.7Å resolution

Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R5 7/4A

Released:
DOI: 10.2210/pdb3nqv/pdb
PDB entry 3nqv coloured by chain, front view.
PDB entry 3nqv coloured by chain, side view.
PDB entry 3nqv 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-163819 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
deoxyribose phosphate aldolase Chain: A
Molecule details ›
Chain: A
Length: 272 amino acids
Theoretical weight: 28.99 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
Structure domains: Aldolase class I

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU300
Spacegroup: C2
Unit cell:
a: 90.524Å b: 64.725Å c: 49.032Å
α: 90° β: 104.69° γ: 90°
R-values:
R R work R free
0.206 0.205 0.234
Expression system: Escherichia coli

Quick links

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)