Crystal structure of the ATP-gated human P2X3 ion channel bound to competitive antagonist a-317491

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 38% strand (DSSP).

Ligands and binding sites

• 71C · 5-{[(3-phenoxyphenyl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid · 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

• 5SVR · Crystal structure of the ATP-gated human P2X3 ion channel bound to competitive antagonist… · 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 5SVR · PDBe 5SVR · UniProt P56373