Crystal structure of the human prostaglandin E receptor EP3 bound to prostaglandin E2

Structure

x-ray diffraction · 2 distinct chains · 81% helix, 3% strand (DSSP).

Ligands and binding sites

• P2E · (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid · ligand · 2 copies · chains B, A
• POV · (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate · ligand · 2 copies · chains B, A

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

Pockets

9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• B–A · 713 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

• 6AK3 · Crystal structure of the human prostaglandin E receptor EP3 bound to prostaglandin E2 · the same entry in another collection · chain B against B, TM-score 1.00
• P43115 · AlphaFold monomer V2.0 prediction for prostaglandin E2 receptor EP3 subtype (P43115) · a predicted model of the same protein · chain B against A, TM-score 0.93
• P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain B against A, TM-score 0.26

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 P43115
• Every structure of UniProt P0ABE7
• Elsewhere: RCSB PDB 6AK3 · PDBe 6AK3 · UniProt P43115 · UniProt P0ABE7