Structure of GluA2 ligand-binding domain (S1S2J) in complex with the agonist (S)-2-Amino-3-(1-ethyl-4-hydroxy-1H-1,2,3-triazol-5-yl)propanoic acid at 1.4 A resolution

Structure

x-ray diffraction · resolution 1.4 · 2 distinct chains · 37% helix, 21% strand (DSSP).

Ligands and binding sites

• HJ8 · (2~{S})-2-azanyl-3-(3-ethyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid · ligand · 2 copies · chains A, B
• LI · Lithium ion · metal · 3 copies · chains A, B
• SO4 · Sulfate ion · ion · 10 copies · chains A, B
• CL · Chloride ion · ion · 3 copies · chains A
• GOL · Glycerol · additive · 4 copies · chains A, B
• PGE · Triethylene glycol · additive · 2 copies · chains A, B
• CIT · Citric acid · additive · chains A
• PEG · Di(hydroxyethyl)ether · additive · chains 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, 4 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 961 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

• 6Q54 · Structure of GLUA2 ligand-binding domain (S1S2J) in complex with the agonist… · 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 B 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 6Q54 · PDBe 6Q54 · UniProt P19491