Figure 2
From: Allosteric sodium binding cavity in GPR3: a novel player in modulation of Aβ production
Molecular dynamics results of DPI located in the GPR3 orthosteric binding cavity. DPI-GPR3 complex, together with the water dome that surrounds the The MM and CG regions of the receptors are shown in cyan and blue colors, respectively. The receptor is oriented with the N-terminus in the extracellular part and the C-terminus in the intracellular part. In the top right part the best docking complex is shown. While DPI located in the orthosteric binding cavity of the GPR3 receptor is shown in red, residues Cys6.55, F3.36 and F6.51 are shown in cyan. In the bottom right, MM/CG simulations of the best complex is represented. DPI is shown in green, while Cys6.55, F3.36 and F6.51 residues are shown in cyan.
