Crystal structure of aurora-a bound to a hydrocarbon-stapled proteomimetic of TPX2

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 18% strand (DSSP).

Ligands and binding sites

• ADP · Adenosine-5'-diphosphate · ligand · chains A
• P4G · 1-ethoxy-2-(2-ethoxyethoxy)ethane · ligand · chains A
• MG · Magnesium ion · metal · 2 copies · chains A
• SO4 · Sulfate ion · ion · chains A
• CL · Chloride ion · ion · chains A
• NH3 · Ammonia · ion · chains A, D
• PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
• PG4 · Tetraethylene glycol · additive · chains A
• MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A, D

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

Pockets

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

Interfaces

1 interface between chains.

• A–D · 1464 Ų buried · 23 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 modified (nonstandard, phosphorylation).

Compared structures

• 5LXM · Crystal structure of Aurora-A bound to a hydrocarbon-stapled proteomimetic of TPX2 · 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
• Q9ULW0 · AlphaFold monomer V2.0 prediction for targeting protein for XKLP2 (Q9ULW0) · a predicted model of the same protein · chain D against A, TM-score 0.43

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
• Every structure of UniProt Q9ULW0
• Elsewhere: RCSB PDB 5LXM · PDBe 5LXM · UniProt O14965 · UniProt Q9ULW0