Figure 5
Comparison of the SB1495-bound and SB1494-bound structures with respect to conformation and stability. (A) Comparison of the Cα RMSD values for the SB1495- and SB1494-bound structures against the agonist-free PPARγ LBD structure (PDB ID: 5GTP). Red and blue lines represent the RMSD values for the SB1495-bound and SB1494-bound PPARγ LBD structures, respectively. Secondary structural elements are represented along the residue numbers. Helix H2′ and the Ω loop which exhibited large conformational changes are marked by a black-dashed box. (B) Comparison of the normalized B-factors for the SB1495- and SB1494-bound structures. The normalized B-factors for the SB1495- and SB1494-bound PPARγ LBD structures are represented in red and blue lines, respectively. Helix H2′, the Ω loop, and the four-stranded β-sheet which exhibited enhanced thermal stabilities in the SB1495-bound structure are marked by black-dashed boxes.
