› 3daj

X-ray diffraction
2Å resolution

Crystal structure of Aurora A complexed with an inhibitor discovered through site-directed dynamic tethering

Released:
DOI: 10.2210/pdb3daj/pdb
PDB entry 3daj coloured by chain, front view.
PDB entry 3daj coloured by chain, side view.
PDB entry 3daj coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Discovery of an Aurora kinase inhibitor through site-specific dynamic combinatorial chemistry.
Cancilla MT, He MM, Viswanathan N, Simmons RL, Taylor M, Fung AD, Cao K, Erlanson DA
Bioorg Med Chem Lett 18 3978-81 (2008)
PMID: 18579375

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161308 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aurora kinase A Chain: A
Molecule details ›
Chain: A
Length: 272 amino acids
Theoretical weight: 31.56 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
UniProt:
  • Canonical: P97477 (Residues: 116-381; Coverage: 67%)
Gene names: Aik, Airk1, Ark1, Aura, Aurka, Ayk1, Btak, Iak1, Stk15, Stk6
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand FXG 1 x FXG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P41212
Unit cell:
a: 84.932Å b: 84.932Å c: 77.025Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.253 0.251 0.284
Expression system: Escherichia coli

Quick links

Citations

9 review citations

Aurora kinase inhibitors: progress towards the clinic.
Kollareddy et al. (2012)
8 more

1 mention without citation

Aurora kinase A is a possible target of OSU‑03012 to destabilize MYC family proteins.
Silva et al. (2014)