Figure 5
From: Enantiomer-specific activities of an LRH-1 and SF-1 dual agonist
Crystal structure of LRH-1 bound to SS-RJW100. (a) Overall structure of the LRH-1 LBD (grey) bound to SS-RJW100 (two conformers, cyan and blue). The complex was crystallized with a fragment of the Transcriptional Intermediary Factor 2 (Tif2) coactivator, shown in green. H, helix. (b) Omit maps (FO-FC, contoured at 2 σ) showing the justification for modelling two orientations of the ligand. (c) Superpositions of SS-RJW100 with RR-RJW100 (top) and related molecule GSK8470 (bottom). (d) Different contacts made by SS-RJW100 and RR-RJW100 hydroxyl groups in the LRH-1 binding pocket. Highlighted in blue is the network of water molecules (red spheres) and a group of residues that they coordinate. Red dotted lines indicate hydrogen bonds. RR-RJW100, but not SS-RJW100 makes a water-meditated hydrogen bond with residue T352.
