Crystal structure of a transition state mimic of the gsk-3/AXIN complex bound to phosphorylated N-terminal auto-inhibitory PS9 peptide

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 19% strand (DSSP).

Ligands and binding sites

• ADP · Adenosine-5'-diphosphate · ligand · chains A
• AF3 · Aluminum fluoride · ligand · chains A
• MG · Magnesium ion · metal · 2 copies · chains A
• NO3 · Nitrate ion · ion · chains A
• GOL · Glycerol · additive · 2 copies · chains A

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 716 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

• 4NU1 · Crystal structure of a transition state mimic of the GSK-3/Axin complex bound to… · the same entry in another collection · chain A against A, TM-score 1.00
• Q9WV60 · AlphaFold monomer V2.0 prediction for glycogen synthase kinase-3 beta (Q9WV60) · a predicted model of the same protein · chain A against A, TM-score 0.98
• O15169 · AlphaFold monomer V2.0 prediction for axin-1 (O15169) · a predicted model of the same protein · chain B against A, TM-score 0.65

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 Q9WV60
• Every structure of UniProt O15169
• Elsewhere: RCSB PDB 4NU1 · PDBe 4NU1 · UniProt Q9WV60 · UniProt O15169