The 2.3 ångström resolution crystal structure of the heterodimer of the human ppargamma and rxralpha ligand binding domains respectively bound with GW409544 and 9-cis retinoic acid and co-activator peptides.

Structure

x-ray diffraction · 4 distinct chains · 62% helix, 4% strand (DSSP).

Ligands and binding sites

• 9CR · (9cis)-retinoic acid · ligand · chains A
• 544 · 2-(1-methyl-3-oxo-3-phenyl-propylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid · ligand · chains D

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

Pockets

8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Interfaces

3 interfaces between chains.

• A–D · 1203 Ų buried · 7 hydrogen bonds · protein-protein
• D–E · 653 Ų buried · 10 hydrogen bonds · protein-protein
• A–B · 555 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

• 1K74 · The 2.3 Angstrom resolution crystal structure of the heterodimer of the human PPARgamma… · the same entry in another collection · chain A against A, TM-score 1.00
• P37231 · AlphaFold monomer V2.0 prediction for peroxisome proliferator- activated receptor gamma… · a predicted model of the same protein · chain D against A, TM-score 0.96
• P19793 · AlphaFold monomer V2.0 prediction for retinoic acid receptor rxr- alpha (P19793) · a predicted model of the same protein · chain A against A, TM-score 0.94

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 P19793
• Every structure of UniProt P37231
• Every structure of UniProt O43792
• Elsewhere: RCSB PDB 1K74 · PDBe 1K74 · UniProt P19793 · UniProt P37231 · UniProt O43792