Figure 1.
Fig. 1. Stereo representation of the ligand-binding
pocket of the crystal structure of the hRAR LBD with
the bound active enantiomer BMS270394 (shown in orange). The
final model is depicted with the ligand fitted to the electron
density map (colored in red) that has been calculated at the
very beginning of the refinement in absence of the ligand. The
[A]-weighted
F[obs] F[calc]
map (18) at 1.59-Å resolution is contoured at 3.2 . Distances
in yellow indicate hydrogen bonds and salt bridges between
ligand and residues, whereas van der Waals contacts are shown in
blue. RAR selectivity
of the ligand is achieved by its hydroxyl group, which forms a
hydrogen bond with the sulfur of Met-272, corresponding to
isoleucines in RAR and . H3, H5,
H10, and H11 indicate helices, and L6/7 the loop between helix 6
and 7.
LBD with
the bound active enantiomer BMS270394 (shown in orange). The
final model is depicted with the ligand fitted to the electron
density map (colored in red) that has been calculated at the
very beginning of the refinement in absence of the ligand. The
[A]-weighted
F[obs] 
F[calc]
map (18) at 1.59-Å resolution is contoured at 3.2 
and 
. H3, H5,
H10, and H11 indicate helices, and L6/7 the loop between helix 6
and 7.