Crystal structure of human P2X3 receptor in complex with the af-219 negative allosteric modulator

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 39% strand (DSSP).

Ligands and binding sites

• AF9 · 5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonamide · ligand · chains A
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
• MG · Magnesium ion · metal · chains A
• NA · Sodium ion · metal · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 5 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

• 5YVE · Crystal structure of human P2X3 receptor in complex with the AF-219 negative allosteric… · the same entry in another collection · chain A against A, TM-score 1.00
• P56373 · AlphaFold monomer V2.0 prediction for P2X purinoceptor 3 (P56373) · a predicted model of the same protein · chain A against A, TM-score 0.91

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 P56373
• Elsewhere: RCSB PDB 5YVE · PDBe 5YVE · UniProt P56373