› 5dpv

X-ray diffraction
2.28Å resolution

Aurora A Kinase in Complex with AA35 and JNJ-7706621 in Space Group P6122

Released:
DOI: 10.2210/pdb5dpv/pdb
PDB entry 5dpv coloured by chain, front view.
PDB entry 5dpv coloured by chain, side view.
PDB entry 5dpv coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Janeček M, Rossmann M, Sharma P, Emery A, Huggins DJ, Stockwell SR, Stokes JE, Tan YS, Almeida EG, Hardwick B, Narvaez AJ, Hyvönen M, Spring DR, McKenzie GJ, Venkitaraman AR
Sci Rep 6 28528 (2016)
PMID: 27339427

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: 273 amino acids
Theoretical weight: 31.81 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O14965 (Residues: 126-390; Coverage: 66%)
Gene names: AIK, AIRK1, ARK1, AURA, AURKA, AYK1, BTAK, IAK1, STK15, STK6
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand 5DN 1 x 5DN
Ligand SKE 1 x SKE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P6122
Unit cell:
a: 83.76Å b: 83.76Å c: 166.471Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.224 0.222 0.28
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

12 review citations

Inhibitors of protein-protein interactions (PPIs): an analysis of scaffold choices and buried surface area.
Ran et al. (2018)
11 more

1 mention without citation

Discovery of Kinase and Carbonic Anhydrase Dual Inhibitors by Machine Learning Classification and Experiments.
Kim et al. (2022)