Figure 2.

The interactions between GW4869 and nSMase from molecular docking. (A) The pocket is shown in electrostatics representation. (B) The two-dimensional schematic representation of the nSMase and GW4869 complex interactions. Red, yellow, blue and white ribbons: nSMase. The binding surfaces are identified in grey. The molecular structures of GW4869 is displayed by purple ball-and-stick models. Green lines indicate pi-pi stacking interactions, and purple dashed arrows represent sidechain hydrogen bond interactions. Polar and hydrophobic residues are depicted with green and pink circles, respectively.