› 3d15

X-ray diffraction
2.3Å resolution

Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-(3-chloro-phenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)- ethyl]-thiazol-2-yl}-urea [SNS-314]

Released:
DOI: 10.2210/pdb3d15/pdb
PDB entry 3d15 coloured by chain, front view.
PDB entry 3d15 coloured by chain, side view.
PDB entry 3d15 coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Discovery of a potent and selective aurora kinase inhibitor.
Oslob JD, Romanowski MJ, Allen DA, Baskaran S, Bui M, Elling RA, Flanagan WM, Fung AD, Hanan EJ, Harris S, Heumann SA, Hoch U, Jacobs JW, Lam J, Lawrence CE, McDowell RS, Nannini MA, Shen W, Silverman JA, Sopko MM, Tangonan BT, Teague J, Yoburn JC, Yu CH, Zhong M, Zimmerman KM, O'Brien T, Lew W
Bioorg Med Chem Lett 18 4880-4 (2008)
PMID: 18678489

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: 31.55 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 AK2 1 x AK2
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P6122
Unit cell:
a: 82.353Å b: 82.353Å c: 171.999Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.238 0.234 0.288
Expression system: Escherichia coli

Quick links

Citations

16 review citations

AXL receptor tyrosine kinase as a promising anti-cancer approach: functions, molecular mechanisms and clinical applications.
Zhu et al. (2019)
15 more

6 mentions without citation

Rationalizing tight ligand binding through cooperative interaction networks.
Kuhn et al. (2011)
5 more