› 4bbg

X-ray diffraction
2.75Å resolution

Crystal structure of human kinesin Eg5 in complex with 3-(((2-Aminoethyl)sulfanyl)(3-ethylphenyl) phenylmethyl)phenol

Released:
DOI: 10.2210/pdb4bbg/pdb
PDB entry 4bbg coloured by chain, front view.
PDB entry 4bbg coloured by chain, side view.
PDB entry 4bbg coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Optimized S-trityl-L-cysteine-based inhibitors of kinesin spindle protein with potent in vivo antitumor activity in lung cancer xenograft models.
Good JA, Wang F, Rath O, Kaan HY, Talapatra SK, Podgórski D, MacKay SP, Kozielski F
J Med Chem 56 1878-93 (2013)
PMID: 23394180

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 Chain: A
Molecule details ›
Chain: A
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

4 bound ligands:
Ligand ADP 1 x ADP
Ligand MG 1 x MG
Ligand CL 5 x CL
Ligand V02 1 x V02
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: I213
Unit cell:
a: 158.19Å b: 158.19Å c: 158.19Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.185 0.182 0.23
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

7 mentions without citation

Optimized S-trityl-L-cysteine-based inhibitors of kinesin spindle protein with potent in vivo antitumor activity in lung cancer xenograft models.
Good et al. (2013)
6 more