The human P2Y1 receptor in complex with bptu

Structure

x-ray diffraction · 1 distinct chain · 67% helix, 6% strand (DSSP).

Ligands and binding sites

• Y01 · Cholesterol hemisuccinate · ligand · 3 copies · chains A
• BUR · 1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea · ligand · chains A
• CLR · Cholesterol · ligand · chains A
• ZN · Zinc ion · metal · chains A
• OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 8 copies · chains A
• 1PE · Pentaethylene glycol · additive · 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, 1 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

• 4XNV · The human P2Y1 receptor in complex with BPTU · the same entry in another collection · chain A against A, TM-score 1.00
• P47900 · AlphaFold monomer V2.0 prediction for P2Y purinoceptor 1 (P47900) · a predicted model of the same protein · chain A against A, TM-score 0.83
• P00268 · AlphaFold monomer V2.0 prediction for rubredoxin (P00268) · a predicted model of the same protein · chain A against A, TM-score 0.15

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 P47900
• Every structure of UniProt P00268
• Elsewhere: RCSB PDB 4XNV · PDBe 4XNV · UniProt P47900 · UniProt P00268