Title

Strength of the C-H···O Hydrogen Bond of Amino Acid Residues

Document Type

Article

Journal/Book Title

Journal of Biological Chemistry

Publication Date

1-2001

Publisher

American Society for Biochemistry and Molecular Biology

Volume

276

First Page

9832

Last Page

9837

DOI

10.1074/jbc.M010770200

Abstract

Although the peptide CαH group has historically not been thought to form hydrogen bonds within proteins, ab initio quantum calculations show it to be a potent proton donor. Its binding energy to a water molecule lies in the range between 1.9 and 2.5 kcal/mol for nonpolar and polar amino acids; the hydrogen bond (H-bond) involving the charged lysine residue is even stronger than a conventional OH··O interaction. The preferred H-bond lengths are quite uniform, about 3.32 Å. Formation of each interaction results in a downfield shift of the bridging hydrogen's chemical shift and a blue shift in the CαH stretching frequency, potential diagnostics of the presence of such an H-bond within a protein.

Comments

http://www.jbc.org/content/276/13/9832.short

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Published by Journal of Biological Chemistry in American Society for Biochemistry and Molecular Biology.

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