› 2gm1

X-ray diffraction
2.3Å resolution

Crystal structure of the mitotic kinesin eg5 in complex with mg-adp and n-(3-aminopropyl)-n-((3-benzyl-5-chloro-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)(cyclopropyl)methyl)-4-methylbenzamide

Released:
DOI: 10.2210/pdb2gm1/pdb
PDB entry 2gm1 coloured by chain, front view.
PDB entry 2gm1 coloured by chain, side view.
PDB entry 2gm1 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Synthesis and SAR of pyrrolotriazine-4-one based Eg5 inhibitors.
Kim KS, Lu S, Cornelius LA, Lombardo LJ, Borzilleri RM, Schroeder GM, Sheng C, Rovnyak G, Crews D, Schmidt RJ, Williams DK, Bhide RS, Traeger SC, McDonnell PA, Mueller L, Sheriff S, Newitt JA, Pudzianowski AT, Yang Z, Wild R, Lee FY, Batorsky R, Ryder JS, Ortega-Nanos M, Shen H, Gottardis M, Roussell DL
Bioorg Med Chem Lett 16 3937-42 (2006)
PMID: 16730979

Function and Biology Details

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

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 Chains: A, B, D, E
Molecule details ›
Chains: A, B, D, E
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 8 x MG
Ligand 2AZ 4 x 2AZ
Ligand ADP 4 x ADP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P21
Unit cell:
a: 64.7Å b: 112.6Å c: 108.1Å
α: 90° β: 90.2° γ: 90°
R-values:
R R work R free
0.23 0.23 0.269
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

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

2 mentions without citation

Electrostatically biased binding of kinesin to microtubules.
Grant et al. (2011)
1 more