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

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 40% strand (DSSP).

Ligands and binding sites

• 128 · Spiro(2,4,6-trinitrobenzene[1,2a]-2O',3O'-methylene-adenine-triphosphate · ligand · chains A
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
• NA · Sodium ion · metal · chains A
• MG · Magnesium ion · metal · chains A

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

Pockets

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

Modifications

Observed in the structure: 5 disulfide, 3 glycan (disulfide, N-glycosylation).

Compared structures

• 5SVQ · 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 0.92

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 5SVQ · PDBe 5SVQ · UniProt P56373