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Structural Basis for the Inhibition of Aurora A Kinase by a Novel Class of High Affinity Disubstituted Pyrimidine Inhibitors

X-ray diffraction
2.25Å resolution
PDB entry 2np8 coloured by chain, front view.
PDB entry 2np8 coloured by chain, side view.
PDB entry 2np8 coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Aurora kinase A
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Multimeric state: monomeric
Accessible surface area: 12320.09 Å2
Buried surface area: 1199.98 Å2
Dissociation area: 414.63 Å2
Dissociation energy (ΔGdiss): -5.33 kcal/mol
Dissociation entropy (TΔSdiss): 5.14 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-127232

Macromolecules

Aurora kinase A
Chain: A
Length: 272 amino acids
Theoretical weight: 31.44 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O14965 (Residues: 125-391; Coverage: 66%)
Gene names: AIK, AIRK1, ARK1, AURA, AURKA, AYK1, BTAK, IAK1, STK15, STK6
Pfam: Protein kinase domain
InterPro:
CATH: Phosphorylase Kinase; domain 1
Aurora kinase A in PDB entry 2np8, assembly 1, front view.
Aurora kinase A in PDB entry 2np8, assembly 1, side view.
Aurora kinase A in PDB entry 2np8, assembly 1, top view.
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