4c2v

X-ray diffraction
1.49Å resolution

Aurora B kinase in complex with the specific inhibitor Barasertib

Released:
Source organism: Xenopus laevis
Primary publication:
Structure of Aurora B-INCENP in complex with barasertib reveals a potential transinhibitory mechanism.
Acta Crystallogr F Struct Biol Commun 70 294-8 (2014)
PMID: 24598913

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Aurora kinase B-A Chains: A, B
Molecule details ›
Chains: A, B
Length: 285 amino acids
Theoretical weight: 33.65 KDa
Source organism: Xenopus laevis
Expression system: Escherichia coli
UniProt:
  • Canonical: Q6DE08 (Residues: 76-360; Coverage: 79%)
Gene names: airk2-a, aurkb-a
Sequence domains: Protein kinase domain
Structure domains:
Inner centromere protein A Chains: C, D
Molecule details ›
Chains: C, D
Length: 44 amino acids
Theoretical weight: 5.07 KDa
Source organism: Xenopus laevis
Expression system: Escherichia coli
UniProt:
  • Canonical: O13024 (Residues: 797-840; Coverage: 5%)
Gene name: incenp-a
Structure domains: Single alpha-helices involved in coiled-coils or other helix-helix interfaces

Ligands and Environments

1 bound ligand:
1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P21
Unit cell:
a: 46.065Å b: 68.101Å c: 117.087Å
α: 90° β: 96.65° γ: 90°
R-values:
R R work R free
0.168 0.167 0.197
Expression system: Escherichia coli