Crystal structure of the GLUR5 ligand binding core dimer in complex with UBP315 at 1.80 ångströms resolution

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 22% strand (DSSP).

Ligands and binding sites

• UB1 · 3-({3-[(2S)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)-4,5-dibromothiophene-2-carboxylic acid · ligand · 2 copies · chains A, B
• CL · Chloride ion · ion · 2 copies · chains A, B
• 1PE · Pentaethylene glycol · additive · 2 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 629 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

• 2QS1 · Crystal structure of the GluR5 ligand binding core dimer in complex with UBP315 at 1.80… · the same entry in another collection · chain A against A, TM-score 1.00
• P22756 · AlphaFold monomer V2.0 prediction for glutamate receptor ionotropic, kainate 1 (P22756) · a predicted model of the same protein · chain A against A, TM-score 0.93

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 P22756
• Elsewhere: RCSB PDB 2QS1 · PDBe 2QS1 · UniProt P22756