Chemistry: A European Journal 2012-05-07

Experimental evaluation of CH-π interactions in a protein core.

Christopher J Pace, Diane Kim, Jianmin Gao

Index: Chemistry 18(19) , 5832-6, (2012)

Full Text: HTML

Abstract

CH-π stacks up! Using the protein α(2) D as a model system, we estimate that a CH-π contact between cyclohexylalanine (Cha) and phenylalanine (F) contributes approximately -0.7 kcal  mol(-1) to the protein stability. The stacking F-Cha pairs are sequestered in the core of the protein, where water interference does not exist (see figure). Therefore, the observed energetic gain should represent the inherent magnitude and upper limit of the CH-π interactions.Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.