Direct observation of structural heterogeneity in a β-sheet

M.E. Cremeens, J. Zimmermann, W. Yu, P.E. Dawson, F.E. Romesberg, J. Am. Chem. Soc. (2009) 131:5726-5727.
pubpic2009cremeensWe demonstrate that deuterium atoms incorporated at Cα backbone positions (Cα−D bonds) are sensitive to the local backbone structure. DFT calculations are used to predict that Cα−D bonds of glycine are sensitive to their local structure, with the absorptions red-shifted for an extended β-sheet relative to γ- and α-helix-like turns. These predictions are confirmed in glycine-deuterated variants of the N-terminal Src homology 3 (nSH3) domain protein.