Crystal structure of aurora-a L210C catalytic domain in complex with ASDO6 ligand

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 19% strand (DSSP).

Ligands and binding sites

• G7T · ~{N}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-butanamide · ligand · chains A
• PGF · 2,5,8,11-tetraoxatridecane · ligand · chains A
• CL · Chloride ion · ion · 3 copies · chains A
• ACT · Acetate ion · additive · 3 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.

Compared structures

• 6HJJ · Crystal structure of Aurora-A L210C catalytic domain in complex with ASDO6 ligand · 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 0.98

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 6HJJ · PDBe 6HJJ · UniProt O14965