Crystal structure of the IGLUR2 ligand-binding core (S1S2J-N754S) in complex with glutamate and NS5217 at 1.50 a resolution

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 21% strand (DSSP).

Ligands and binding sites

• GLU · Glutamic acid · ligand · 2 copies · chains A, B
• NS7 · (3R)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide · ligand · 2 copies · chains A, B
• SO4 · Sulfate ion · ion · 2 copies · chains A, B
• GOL · Glycerol · additive · chains A
• DMS · Dimethyl sulfoxide · additive · chains B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 281 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

• 3H6W · Crystal structure of the iGluR2 ligand-binding core (S1S2J-N754S) in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
• P19491 · AlphaFold monomer V2.0 prediction for glutamate receptor 2 (P19491) · 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 P19491
• Elsewhere: RCSB PDB 3H6W · PDBe 3H6W · UniProt P19491