Fig. 5.

Crystal structure of the hPXR LBD in complex with SJB7 and the SRC-1 coactivator peptide. a 2Fo-Fc map (1.0 sigma) around SJB7. The hPXR LBD is depicted in blue and SRC-1 in orange. b SJB7 is fixed in a tunnel created by S247, Q285, H407 and L411 (shown as meshes). c SJB7 interacting with the AF-2 helix residues M425, L428 and F429. The sphere indicates the methoxy group that contacts the L428 and F429 pair. d The antagonist SPA70 docked in the ligand-binding site, showing the missing interactions with L428 and F429. Color code for the stick representations: blue, nitrogen; magenta, oxygen; yellow, sulfur