› 2xae

X-ray diffraction
2.6Å resolution

Crystal structure of human kinesin Eg5 in complex with (R)-2-amino-3-((S)-2-methyl-1,1-diphenylbutylthio)propanoic acid

Released:
DOI: 10.2210/pdb2xae/pdb
PDB entry 2xae coloured by chain, front view.
PDB entry 2xae coloured by chain, side view.
PDB entry 2xae coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-activity relationship and multidrug resistance study of new S-trityl-L-cysteine derivatives as inhibitors of Eg5.
Kaan HY, Weiss J, Menger D, Ulaganathan V, Tkocz K, Laggner C, Popowycz F, Joseph B, Kozielski F
J Med Chem 54 1576-86 (2011)
PMID: 21344920

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156615 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Kinesin-like protein KIF11 Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 368 amino acids
Theoretical weight: 41.06 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P52732 (Residues: 1-368; Coverage: 35%)
Gene names: EG5, KIF11, KNSL1, TRIP5
Sequence domains: Kinesin motor domain
Structure domains: Kinesin motor domain

Ligands and Environments

5 bound ligands:
Ligand 2XA 3 x 2XA
Ligand MG 3 x MG
Ligand ADP 3 x ADP
Ligand CL 1 x CL
Ligand SO4 3 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P32
Unit cell:
a: 96.77Å b: 96.77Å c: 124.751Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.185 0.181 0.257
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Recent findings and future directions for interpolar mitotic kinesin inhibitors in cancer therapy.
Myers et al. (2016)
2 more

4 mentions without citation

Inhibition of hepatitis C virus NS5B polymerase by S-trityl-L-cysteine derivatives.
Nichols et al. (2012)
3 more