› 3uol

X-ray diffraction
2.4Å resolution

Aurora A in complex with SO2-162

Released:
DOI: 10.2210/pdb3uol/pdb
PDB entry 3uol coloured by chain, front view.
PDB entry 3uol coloured by chain, side view.
PDB entry 3uol coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A novel mechanism by which small molecule inhibitors induce the DFG flip in Aurora A.
Martin MP, Zhu JY, Lawrence HR, Pireddu R, Luo Y, Alam R, Ozcan S, Sebti SM, Lawrence NJ, Schönbrunn E
ACS Chem Biol 7 698-706 (2012)
PMID: 22248356

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

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-127232 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aurora kinase A Chains: A, B
Molecule details ›
Chains: A, B
Length: 279 amino acids
Theoretical weight: 32.36 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O14965 (Residues: 123-401; Coverage: 69%)
Gene names: AIK, AIRK1, ARK1, AURA, AURKA, AYK1, BTAK, IAK1, STK15, STK6
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand 0C7 2 x 0C7
Ligand EDO 12 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P32
Unit cell:
a: 85.75Å b: 85.75Å c: 76.72Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.237 0.237 0.283
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

An update on the pharmacokinetics and pharmacodynamics of alisertib, a selective Aurora kinase A inhibitor.
Durlacher et al. (2016)
2 more

1 mention without citation

A novel mechanism by which small molecule inhibitors induce the DFG flip in Aurora A.
Martin et al. (2012)