Crystal structure of the GLUA2O lbd in complex with ZK200775 and compound-2

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 23% strand (DSSP).

Ligands and binding sites

• ZK1 · {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid · ligand · 2 copies · chains A, B
• 9C0 · 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-C][1,2, 4]thiadiazine 2,2-dioxide · ligand · chains A, B
• ZN · Zinc ion · metal · 5 copies · chains A, B
• ACT · Acetate ion · additive · 3 copies · chains B
• GOL · Glycerol · additive · 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 · 1071 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

• 5ZG2 · Crystal structure of the GluA2o LBD in complex with ZK200775 and Compound-2 · the same entry in another collection · chain A against A, TM-score 1.00
• P42262 · AlphaFold monomer V2.0 prediction for glutamate receptor 2 (P42262) · a predicted model of the same protein · chain A against A, TM-score 0.96

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 P42262
• Elsewhere: RCSB PDB 5ZG2 · PDBe 5ZG2 · UniProt P42262