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. Author manuscript; available in PMC: 2015 Jan 1.
Published in final edited form as: Bioorg Med Chem. 2013 Oct 26;22(1):651–661. doi: 10.1016/j.bmc.2013.10.022

Figure 1.

Figure 1

Reference footprints constructed from a protein-protein interface on gp41. (a) Two views of the drug target site showing the N-helix hydrophobic binding pocket region in gray and four key sidechains from the native C-helix in green. (b) C34-derived van der Waals (VDW) and electrostatic (ES) reference footprints. Binding site residues involved in a salt-bridge (sb) with Asp121 and hydrogen bond (hb) with Trp120 on the reference are labeled in the electrostatic footprint and the pocket surface. Coordinates from PDB code 1AIK.32