FIGURE 1.
A, shown are chemical structures of ligands used in this work: nicotine, cytisine, and varenicline. Bottom views of AcAChBP in complex with cytisine (B) and varenicline (C) are shown. Each chain of the pentameric assembly is colored differently. Two blown-up views of one protomer-protomer interface are provided for cytisine (left) and for varenicline (right), with interacting residues represented using sticks and placed in the δA-weighted 2mFo − dFc electron density map contoured at 1σ (blue mesh), carved 6.5Å around the ligands. In these blown-up views, principal face residues are in blue, whereas the complementary face residues are colored orange.