Crystal structure of the ppargamma-lbd complexed with a cercosporamide derivative modulator cerco-a

Structure

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

Ligands and binding sites

• KRC · (9aS)-8-acetyl-N-[(2-ethylnaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide · ligand · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 527 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

• 3B1M · Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative… · the same entry in another collection · chain A against A, TM-score 1.00
• Q9UBK2 · AlphaFold monomer V2.0 prediction for peroxisome proliferator- activated receptor gamma… · a predicted model of the same protein · chain B against A, TM-score 0.75

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 P37231
• Every structure of UniProt Q9UBK2
• Elsewhere: RCSB PDB 3B1M · PDBe 3B1M · UniProt P37231 · UniProt Q9UBK2