› 2c6e

X-ray diffraction
2.1Å resolution

Aurora A kinase activated mutant (T287D) in complex with a 5- aminopyrimidinyl quinazoline inhibitor

Released:
DOI: 10.2210/pdb2c6e/pdb
PDB entry 2c6e coloured by chain, front view.
PDB entry 2c6e coloured by chain, side view.
PDB entry 2c6e coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
SAR and inhibitor complex structure determination of a novel class of potent and specific Aurora kinase inhibitors.
Heron NM, Anderson M, Blowers DP, Breed J, Eden JM, Green S, Hill GB, Johnson T, Jung FH, McMiken HH, Mortlock AA, Pannifer AD, Pauptit RA, Pink J, Roberts NJ, Rowsell S
Bioorg Med Chem Lett 16 1320-3 (2006)
PMID: 16337122

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-127232 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aurora kinase A Chains: A, B
Molecule details ›
Chains: A, B
Length: 283 amino acids
Theoretical weight: 32.77 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
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

1 bound ligand:
Ligand HPM 2 x HPM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SRS BEAMLINE PX9.6
Spacegroup: P21
Unit cell:
a: 52.603Å b: 88.421Å c: 67.832Å
α: 90° β: 90.01° γ: 90°
R-values:
R R work R free
0.2 0.2 0.27
Expression system: Escherichia coli

Quick links

Citations

15 review citations

Untangling tau hyperphosphorylation in drug design for neurodegenerative diseases.
Mazanetz et al. (2007)
14 more

8 mentions without citation

Structural propensities of kinase family proteins from a Potts model of residue co-variation.
Haldane et al. (2016)
7 more