Monophosphorylated PSER33 B-catenin peptide, B-TRCP/SKP1, nrx-103094 ternary complex

Structure

x-ray diffraction · 3 distinct chains · 31% helix, 33% strand (DSSP).

Ligands and binding sites

• J97 · 3-({4-[(2,6-dichlorophenyl)sulfanyl]-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl}amino)benzoic acid · ligand · chains A, C
• PO4 · Phosphate ion · ion · chains A
• CL · Chloride ion · ion · chains C

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Interfaces

2 interfaces between chains.

• A–B · 1487 Ų buried · 13 hydrogen bonds · protein-protein
• A–C · 595 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

• 6M91 · Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-103094 ternary complex · the same entry in another collection · chain A against A, TM-score 1.00
• Q9Y297 · AlphaFold monomer V2.0 prediction for F-BOX/WD repeat-containing protein 1A (Q9Y297) · a predicted model of the same protein · chain A against A, TM-score 0.99
• P63208 · AlphaFold monomer V2.0 prediction for S-phase kinase-associated protein 1 (P63208) · a predicted model of the same protein · chain B against A, TM-score 0.95
• P35222 · AlphaFold monomer V2.0 prediction for catenin beta-1 (P35222) · a predicted model of the same protein · chain C against A, TM-score 0.33

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 Q9Y297
• Every structure of UniProt P63208
• Every structure of UniProt P35222
• Elsewhere: RCSB PDB 6M91 · PDBe 6M91 · UniProt Q9Y297 · UniProt P63208 · UniProt P35222