Fragment az-010 binding at the P53PT387/14-3-3 sigma interface

Structure

x-ray diffraction · 2 distinct chains · 78% helix, 0% strand (DSSP).

Ligands and binding sites

• KM8 · ~{N}-[3-(5-carbamimidoylthiophen-3-yl) phenyl]propanamide · ligand · chains A

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

1 interface between chains.

• A–P · 795 Ų buried · 20 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 covalent, 1 modified (covalent ligand, phosphorylation).

Compared structures

• 6RWU · Fragment AZ-010 binding at the p53pT387/14-3-3 sigma interface · the same entry in another collection · chain A against A, TM-score 1.00
• P31947 · AlphaFold monomer V2.0 prediction for 14-3-3 protein sigma (P31947) · a predicted model of the same protein · chain A against A, TM-score 0.96

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 P31947
• Every structure of UniProt P04637
• Elsewhere: RCSB PDB 6RWU · PDBe 6RWU · UniProt P31947 · UniProt P04637