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Strength of the C-H···O Hydrogen Bond of Amino Acid Residues
Journal of Biological Chemistry (2001)
  • Steve Scheiner, Utah State University
  • T. Kar
  • Y. Gu

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.

  • strength,
  • C,
  • H,
  • O,
  • hydrogen bond,
  • amino acid,
  • residues
Publication Date
January 1, 2001
Citation Information
Steve Scheiner, T. Kar and Y. Gu. "Strength of the C-H···O Hydrogen Bond of Amino Acid Residues" Journal of Biological Chemistry Vol. 276 (2001)
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