› 4a50

X-ray diffraction
2.75Å resolution

Crystal structure of human kinesin Eg5 in complex with 2-Amino-5-(3-methylphenyl)-5,5-diphenylpentanoic acid

Released:
DOI: 10.2210/pdb4a50/pdb
PDB entry 4a50 coloured by chain, front view.
PDB entry 4a50 coloured by chain, side view.
PDB entry 4a50 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Triphenylbutanamines: kinesin spindle protein inhibitors with in vivo antitumor activity.
Wang F, Good JA, Rath O, Kaan HY, Sutcliffe OB, Mackay SP, Kozielski F
J Med Chem 55 1511-25 (2012)
PMID: 22248262

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-156612 (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 DQ6 1 x DQ6
Ligand DQ7 1 x DQ7
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: I213
Unit cell:
a: 158.54Å b: 158.54Å c: 158.54Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.2 0.198 0.243
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 review citations

Kinesins and cancer.
Rath et al. (2012)
3 more

2 mentions without citation

Eg5 inhibitor YL001 induces mitotic arrest and inhibits tumor proliferation.
Wang et al. (2017)
1 more