TPX2 residues 7-20 fused to aurora a residues 116-389 with C290 disulfide bonded to compound 7-80, and in complex with AMP-pnp

Structure

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

Ligands and binding sites

• ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
• R7D · N~2~-{(2R)-2-hydroxy-2-[4-(trifluoromethyl) phenyl]acetyl}-N-[(pyridin-2-yl)methyl]-L-cysteinamide · ligand · 2 copies · chains A, B
• MG · Magnesium ion · metal · 4 copies · chains A, B
• MLA · Malonic acid · additive · 2 copies · chains A, B
• GOL · Glycerol · additive · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 2523 Ų buried · 44 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent, 2 modified (covalent ligand, phosphorylation).

Compared structures

• 6VPL · TPX2 residues 7-20 fused to Aurora A residues 116-389 with C290 disulfide bonded to… · 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 0.87
• Q9ULW0 · AlphaFold monomer V2.0 prediction for targeting protein for XKLP2 (Q9ULW0) · a predicted model of the same protein · chain A against A, TM-score 0.13

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 Q9ULW0
• Every structure of UniProt O14965
• Elsewhere: RCSB PDB 6VPL · PDBe 6VPL · UniProt Q9ULW0 · UniProt O14965