Crystal structure of the GLUA2 ligand-binding domain (S1S2J-L483Y- N754S) in complex with glutamate and BPAM25 at 1.90 a resolution.

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 22% strand (DSSP).

Ligands and binding sites

• 3C1 · 4-ethyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide · ligand · 2 copies · chains A, B
• GLU · Glutamic acid · ligand · 2 copies · chains A, B
• SO4 · Sulfate ion · ion · 3 copies · chains A, B
• CL · Chloride ion · ion · 2 copies · chains A, B
• ACT · Acetate ion · additive · 8 copies · chains A, B
• GOL · Glycerol · additive · 4 copies · chains A, B
• PEG · Di(hydroxyethyl)ether · 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, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 1006 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

• 4U4S · Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with… · 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 4U4S · PDBe 4U4S · UniProt P19491