Fragment az-019 binding at the TAZPS89/14-3-3 sigma interface

Structure

x-ray diffraction · 2 distinct chains · 76% helix, 0% strand (DSSP).

Ligands and binding sites

• KDK · 4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide · ligand · chains A, P
• CA · Calcium ion · metal · chains A
• NA · Sodium ion · metal · chains A

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

Pockets

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

Interfaces

1 interface between chains.

• A–P · 766 Ų buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

• 6RP6 · Fragment AZ-019 binding at the TAZpS89/14-3-3 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 0.95
• Q9GZV5 · AlphaFold monomer V2.0 prediction for ww domain-containing transcription regulator… · a predicted model of the same protein · chain P against A, TM-score 0.30

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 Q9GZV5
• Elsewhere: RCSB PDB 6RP6 · PDBe 6RP6 · UniProt P31947 · UniProt Q9GZV5