Crystal structure of the GLUA2 ligand-binding domain (S1S2J) in complex with the positive allosteric modulator TDPAM01 at 1.4 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
• D45 · 6,6'-(ethane-1,2-diyl)bis(4-methyl-3,4-dihydro-2H-1,2, 4-benzothiadiazine 1,1-dioxide) · ligand · chains A, B
• SO4 · Sulfate ion · ion · 5 copies · chains A, B
• CL · Chloride ion · ion · 5 copies · chains A, B
• GOL · Glycerol · additive · 5 copies · chains A, B
• ACT · Acetate ion · additive · 3 copies · chains A, B
• PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
• EDO · 1,2-ethanediol · additive · 2 copies · chains A, B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 945 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

• 6FAZ · Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the positive… · the same entry in another collection · chain B against B, 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 0.97

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 6FAZ · PDBe 6FAZ · UniProt P19491