› 4dhf

X-ray diffraction
2.8Å resolution

Structure of Aurora A mutant bound to Biogenidec cpd 15

Released:
DOI: 10.2210/pdb4dhf/pdb
PDB entry 4dhf coloured by chain, front view.
PDB entry 4dhf coloured by chain, side view.
PDB entry 4dhf coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-based design of 2,6,7-trisubstituted-7H-pyrrolo[2,3-d]pyrimidines as Aurora kinases inhibitors.
Le Brazidec JY, Pasis A, Tam B, Boykin C, Wang D, Marcotte DJ, Claassen G, Chong JH, Chao J, Fan J, Nguyen K, Silvian L, Ling L, Zhang L, Choi M, Teng M, Pathan N, Zhao S, Li T, Taveras A
Bioorg Med Chem Lett 22 4033-7 (2012)
PMID: 22607669

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: 271 amino acids
Theoretical weight: 31.35 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: O14965 (Residues: 126-391; Coverage: 66%)
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 0K6 2 x 0K6
Ligand PO4 2 x PO4
Ligand MG 2 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P61
Unit cell:
a: 81.59Å b: 81.59Å c: 166.065Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.21 0.206 0.299
Expression system: Spodoptera frugiperda

Quick links

Citations

1 review citation

Recent advances on CDK inhibitors: An insight by means of in silico methods.
Tutone et al. (2017)
7 other articles

1 mention without citation

Delayed antibody dependent enhancement of low passage dengue virus 4 isolates.
Wikan et al. (2015)