PDZ domain from rat SHANK3 bound to the C terminus of somatostatin receptor subtype 2

Structure

x-ray diffraction · 3 distinct chains · 15% helix, 37% strand (DSSP).

Ligands and binding sites

• ACE · Acetyl group · ligand · 2 copies · chains A, B, C, D

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

6 interfaces between chains.

• A–B · 526 Ų buried · 15 hydrogen bonds · protein-protein
• C–D · 521 Ų buried · 14 hydrogen bonds · protein-protein
• A–C · 201 Ų buried · 2 hydrogen bonds · protein-protein
• B–D · 166 Ų buried · 2 hydrogen bonds · protein-protein
• A–D · 87 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

• 6EXJ · PDZ domain from rat Shank3 bound to the C terminus of somatostatin receptor subtype 2 · the same entry in another collection · chain A against A, TM-score 1.00
• Q9JLU4 · AlphaFold monomer V2.0 prediction for SH3 and multiple ankyrin repeat domains protein 3… · a predicted model of the same protein · chain C against A, TM-score 0.95

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 Q9JLU4
• Elsewhere: RCSB PDB 6EXJ · PDBe 6EXJ · UniProt Q9JLU4