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. Author manuscript; available in PMC: 2010 Jun 1.
Published in final edited form as: Nat Rev Drug Discov. 2009 Jun;8(6):455–463. doi: 10.1038/nrd2877

Figure 2.

Figure 2

Statistics of the two key receptor-ligand interactions in all models. (A) The hydrogen bonding interaction with N2536.55 and the aromatic stacking interaction with F1685.29 are shown by dashed lines with the distance measurements from the crystal structure. (B) Distribution of the distance for the interaction between the sidechain carbonyl oxygen OD1 atom in N2536.55 and the exocyclic N15 atom of the ligand, and the average interatomic distance for the aromatic stacking interaction between the heavy atoms in the F1685.29 sidechain and the bicyclic ring (atoms C11, N12, N13, C14, N15, N16, N17, C18, N19, C20) of ZM241385. (C) A scatterplot of the distances for the hydrogen bonding interaction (y axis) versus the aromatic stacking interaction (x axis).