Ternary complex of 14-3-3 sigma, estrogen receptor alfa phosphopeptide, and WQ162

Structure

x-ray diffraction · 2 distinct chains · 81% helix, 0% strand (DSSP).

Ligands and binding sites

• 09W · ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide · ligand · 2 copies · chains A, B
• MG · Magnesium ion · metal · 2 copies · chains A
• CL · Chloride ion · ion · chains A
• BME · Beta-mercaptoethanol · additive · 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 · 459 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

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

Compared structures

• 7OQ7 · Ternary complex of 14-3-3 sigma, Estrogen Receptor alfa phosphopeptide, and WQ162 · 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
• P03372 · AlphaFold monomer V2.0 prediction for estrogen receptor (P03372) · a predicted model of the same protein · chain B against A, TM-score 0.80

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 P03372
• Elsewhere: RCSB PDB 7OQ7 · PDBe 7OQ7 · UniProt P31947 · UniProt P03372