Figure 2 - full size

Figure 2.
Fig. 2. X-ray crystal structure of the PPAR LBD. (A) The PPAR protein is displayed as a red worm with the AF2 helix in red and K292 in dark blue. The LxxLL peptide is displayed as a purple worm. The agonist ligand GW409544 is displayed in space-filling representation colored by atom type. The solvent-accessible ligand binding pocket is shown as a white dot surface. Helices 2, 2', 3, 9, and 10 are indicated. The amino acids Phe-273, Lys-292, Tyr-314, Glu-462, and Tyr-464 are displayed in light blue. (B) A 2F[o] F[c] omit map showing the electron density (1 ) of the ligand and the surrounding residues. (C) Key hydrogen bonding (yellow line) and hydrophobic (white broken line) interactions between GW409544 and the PPAR protein and a bound water molecule.