Structure of GLUK1 ligand-binding domain (S1S2) in complex with (2S, 4R)-4-(2-CARBOXYPHENOXY)PYRROLIDINE-2-carboxylic acid at 3.18 a resolution

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 21% strand (DSSP).

Ligands and binding sites

• 7E5 · (2~{S},4~{R})-4-(2-carboxyphenoxy)pyrrolidine-2-carboxylic acid · ligand · 2 copies · chains A, B
• SO4 · Sulfate ion · ion · 6 copies · chains A, B
• CL · Chloride ion · ion · 2 copies · chains A, B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 962 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

• 5M2V · Structure of GluK1 ligand-binding domain (S1S2) in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
• P22756 · AlphaFold monomer V2.0 prediction for glutamate receptor ionotropic, kainate 1 (P22756) · 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 P22756
• Elsewhere: RCSB PDB 5M2V · PDBe 5M2V · UniProt P22756