Fig. 10.

[A] Periodic boundaries (10-Å cube) showing orientation of the 5JXG furin receptor and BOS-318 ligand(s) positioned at the “vertical” and “side” channel entry points. The side-channel was oriented approximately parallel with the FCC, whereas the vertical channel was roughly perpendicular to the FCC. [B] Close-up view of the 5JXG furin model showing the vertical and side entry channels as Van der Waals surfaces (light brown shading) and the remainder of the protein as the water-accessible surface (1.4-Å probe radius; translucent blue shading). Dotted lines with arrows indicate approximate iMD trajectories for the respective entry channels.