Crystal structure of C-terminal modified tau peptide-hybrid 3.2D with 14-3-3SIGMA

Structure

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

Ligands and binding sites

• 60H · (2~{S})-2-(diphenylmethyl)pyrrolidine · ligand · chains A, B
• NA · Sodium ion · metal · 4 copies · chains A
• MG · Magnesium ion · metal · chains A
• CL · Chloride ion · ion · 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–B · 468 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 covalent, 1 d-amino, 1 modified (covalent ligand, D-amino acid, phosphorylation).

Compared structures

• 6FI5 · Crystal structure of C-terminal modified Tau peptide-hybrid 3.2d with 14-3-3sigma · 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
• Elsewhere: RCSB PDB 6FI5 · PDBe 6FI5 · UniProt P31947