Structural basis for iloprost as a dual PPARALPHA/DELTA agonist

Structure

x-ray diffraction · 2 distinct chains · 69% helix, 4% strand (DSSP).

Ligands and binding sites

• IL2 · (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,4R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]hexahydropentalen-2(1H)-ylidene]pentanoic acid · ligand · 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, 1 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 560 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

• 3SP6 · Structural basis for iloprost as a dual PPARalpha/delta agonist · the same entry in another collection · chain A against A, TM-score 1.00
• Q07869 · AlphaFold monomer V2.0 prediction for peroxisome proliferator- activated receptor alpha… · a predicted model of the same protein · chain A against A, TM-score 0.98
• Q86YN6 · AlphaFold monomer V2.0 prediction for peroxisome proliferator- activated receptor gamma… · a predicted model of the same protein · chain B against A, TM-score 0.76

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 Q07869
• Every structure of UniProt Q86YN6
• Elsewhere: RCSB PDB 3SP6 · PDBe 3SP6 · UniProt Q07869 · UniProt Q86YN6