› 2c6d

X-ray diffraction
2.2Å resolution

Aurora A kinase activated mutant (T287D) in complex with ADPNP

Released:
DOI: 10.2210/pdb2c6d/pdb
PDB entry 2c6d coloured by chain, front view.
PDB entry 2c6d coloured by chain, side view.
PDB entry 2c6d 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 Chain: A
Molecule details ›
Chain: A
Length: 275 amino acids
Theoretical weight: 31.98 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O14965 (Residues: 124-398; Coverage: 68%)
Gene names: AIK, AIRK1, ARK1, AURA, AURKA, AYK1, BTAK, IAK1, STK15, STK6
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand GOL 1 x GOL
Ligand PO4 1 x PO4
Ligand ANP 1 x ANP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SRS BEAMLINE PX9.6
Spacegroup: P3221
Unit cell:
a: 86.5Å b: 86.5Å c: 78.3Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.23 0.23 0.28
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

15 review citations

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

3 mentions without citation

Substrate and docking interactions in serine/threonine protein kinases.
Goldsmith et al. (2007)
2 more