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. Author manuscript; available in PMC: 2012 Jul 1.
Published in final edited form as: Neuropharmacology. 2011 Mar 21;61(1-2):112–120. doi: 10.1016/j.neuropharm.2011.03.014

Figure 6. Impact of Y151F mutation on RTI-113 π-π stacking interactions.

Figure 6

Representative π-π stacking interactions between the 2β-carbophenoxy group of RTI-113 and the aromatic side chain of residue #151 in the binding structures of wild-type NE-NE/RTI-113 complex (A) and Y151F mutant-type NET-NE/RTI-113 complex (B). The RTI-113 molecule is shown in ball-and-stick style. The NET-NE protein is represented by the colored ribbon and residue #151 is shown in stick style. Critical distances from the aromatic center of the 2β-carbophenoxy group and aromatic center of the 3β 4-chlorophenyl group of RTI-113 to the aromatic center of the side chain of residue #151 of NET-NE are labeled. Also labeled is the distance for the intra-molecular hydrogen bonding between the cationic head and the carbonyl oxygen at the 2β-carbophenoxy group of RTI-113.