› 2pg2

X-ray diffraction
1.85Å resolution

Crystal structure of KSP in complex with ADP and thiophene containing inhibitor 15

Released:
DOI: 10.2210/pdb2pg2/pdb
PDB entry 2pg2 coloured by chain, front view.
PDB entry 2pg2 coloured by chain, side view.
PDB entry 2pg2 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Synthesis and SAR of thiophene containing kinesin spindle protein (KSP) inhibitors.
Pinkerton AB, Lee TT, Hoffman TZ, Wang Y, Kahraman M, Cook TG, Severance D, Gahman TC, Noble SA, Shiau AK, Davis RL
Bioorg Med Chem Lett 17 3562-9 (2007)
PMID: 17498954

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156614 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Kinesin-like protein KIF11 Chains: A, B
Molecule details ›
Chains: A, B
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

3 bound ligands:
Ligand MG 2 x MG
Ligand ADP 2 x ADP
Ligand K01 2 x K01
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: C2
Unit cell:
a: 161.064Å b: 80.35Å c: 69.313Å
α: 90° β: 96.83° γ: 90°
R-values:
R R work R free
0.212 0.21 0.248
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 review citations

Chemistry and biology of multicomponent reactions.
Dömling et al. (2012)
3 more

7 mentions without citation

Design, synthesis, and biological evaluation of an allosteric inhibitor of HSET that targets cancer cells with supernumerary centrosomes.
Watts et al. (2013)
6 more