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. 2014 Dec 3;136(52):17987–17995. doi: 10.1021/ja508461m

Figure 1.

Figure 1

Drug binding orientations in M2-WT and M2-S31N channels. (A) Solid state NMR structure of amantadine-bound WT A/M2 (PDB: 2KQT). Amantadine binds in the channel with its positively charged ammonium facing toward the C-terminal H37. (B) The solution NMR structure of M2WJ332 (2)-bound A/M2-S31N (PDB: 2LY0). M2WJ332 (2) binds with its positively charged ammonium facing upward the N-terminal V27. (C) Chemical structures of amantadine (1) and M2WJ332 (2).