PDBe 3fdn

X-ray diffraction
1.9Å resolution

Structure-based drug design of novel Aurora kinase A inhibitors: Structure basis for potency and specificity

Released:

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aurora kinase A Chain: A
Molecule details ›
Chain: A
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

1 bound ligand:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSRRC BEAMLINE BL13B1
Spacegroup: P6122
Unit cell:
a: 81.613Å b: 81.613Å c: 169.145Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.231 0.228 0.287
Expression system: Escherichia coli BL21(DE3)