The 2.5 ångström resolution crystal structure of the human pparalpha ligand binding domain bound with GW409544 and a co-activator peptide.

Structure

x-ray diffraction · 2 distinct chains · 66% helix, 5% strand (DSSP).

Ligands and binding sites

• 544 · 2-(1-methyl-3-oxo-3-phenyl-propylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid · ligand · 4 copies · chains A, C, E, G
• YT3 · Yttrium (III) ion · metal · 2 copies · chains C, E

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

Pockets

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

Interfaces

13 interfaces between chains.

• E–F · 658 Ų buried · 10 hydrogen bonds · protein-protein
• G–H · 649 Ų buried · 5 hydrogen bonds · protein-protein
• C–D · 645 Ų buried · 7 hydrogen bonds · protein-protein
• C–G · 642 Ų buried · 2 hydrogen bonds · protein-protein
• A–B · 628 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

• 1K7L · The 2.5 Angstrom resolution crystal structure of the human PPARalpha ligand binding… · the same entry in another collection · chain H against H, TM-score 1.00
• Q07869 · AlphaFold monomer V2.0 prediction for peroxisome proliferator- activated receptor alpha… · a predicted model of the same protein · chain E against A, TM-score 0.97

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 O43792
• Elsewhere: RCSB PDB 1K7L · PDBe 1K7L · UniProt Q07869 · UniProt O43792