Crystal structure of the GLUA2 ligand-binding domain (S1S2J) in complex with agonist lm-12B at 1.3 a resolution.

Structure

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

Ligands and binding sites

• 8VE · (3~{a}~{R},4~{S},6~{a}~{R})-1-methyl-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-c]pyrazole-3,4-dicarboxylic acid · ligand · 2 copies · chains B, A
• SO4 · Sulfate ion · ion · 5 copies · chains B, A
• CL · Chloride ion · ion · 2 copies · chains B, A
• GOL · Glycerol · additive · 4 copies · chains B, A
• ACT · Acetate ion · additive · chains A

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

Pockets

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

Interfaces

1 interface between chains.

• B–A · 1139 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

• 5NIH · Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with agonist… · the same entry in another collection · chain B against B, TM-score 1.00

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 5NIH · PDBe 5NIH · UniProt P19491