Crystal structure of the prostaglandin D2 receptor CRTH2 with CAY10471

Structure

x-ray diffraction · 1 distinct chain · 71% helix, 2% strand (DSSP).

Ligands and binding sites

• OLA · Oleic acid · ligand · 2 copies · chains A
• FT4 · [(3R)-3-{[(4-fluorophenyl)sulfonyl](methyl)amino}-1,2, 3,4-tetrahydro-9H-carbazol-9-yl]acetic acid · ligand · chains A
• SO4 · Sulfate ion · ion · 7 copies · chains A
• PGO · S-1,2-propanediol · additive · 4 copies · chains A
• PGE · Triethylene glycol · additive · 2 copies · chains A
• MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A
• PEG · Di(hydroxyethyl)ether · additive · chains A

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

Pockets

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

Modifications

Observed in the structure: 2 disulfide, 1 modified (disulfide, alkylation).

Compared structures

• 6D27 · Crystal structure of the prostaglandin D2 receptor CRTH2 with CAY10471 · the same entry in another collection · chain A against A, TM-score 1.00
• Q9Y5Y4 · AlphaFold monomer V2.0 prediction for prostaglandin D2 receptor 2 (Q9Y5Y4) · a predicted model of the same protein · chain A against A, TM-score 0.70

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 Q9Y5Y4
• Every structure of UniProt D9IEF7
• Elsewhere: RCSB PDB 6D27 · PDBe 6D27 · UniProt Q9Y5Y4 · UniProt D9IEF7