Crystal structure of aurora-a kinase in complex with an allosterically binding fragment

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 19% strand (DSSP).

Ligands and binding sites

• ADP · Adenosine-5'-diphosphate · ligand · chains A
• A5H · 3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-B][1, 3]thiazole · ligand · chains A
• MG · Magnesium ion · metal · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

• 5ORO · Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment · the same entry in another collection · chain A against A, TM-score 1.00
• O14965 · AlphaFold monomer V2.0 prediction for aurora kinase a (O14965) · a predicted model of the same protein · chain A against A, TM-score 0.97

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt O14965
• Elsewhere: RCSB PDB 5ORO · PDBe 5ORO · UniProt O14965