Crystal structure of 14-3-3SIGMA in complex with a PAK6 PT99 phosphopeptide stabilized by semi-synthetic fusicoccane Fc-ncpc

Structure

x-ray diffraction · 2 distinct chains · 79% helix, 0% strand (DSSP).

Ligands and binding sites

• HY5 · Fc-ncpc · ligand · chains A, B
• NA · Sodium ion · metal · 2 copies · chains A
• CL · Chloride ion · ion · 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, 1 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 448 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

• 6QDS · Crystal structure of 14-3-3sigma in complex with a PAK6 pT99 phosphopeptide stabilized by… · 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
• Q9NQU5 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase pak 6 (Q9NQU5) · 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 P31947
• Every structure of UniProt Q9NQU5
• Elsewhere: RCSB PDB 6QDS · PDBe 6QDS · UniProt P31947 · UniProt Q9NQU5