Variation in Strength of an Unconventional CH...O Hydrogen Bond in an Engineered Protein Cavity.

Abstract

We have utilized the ligand binding properties of a buried cavity created in the interior of a protein to obtain direct information about the variation in the strength of CH...O interactions between the ligand and protein. Our study shows that the strength of CH...O interactions can be modulated by over 1 kcal/mol by changes in the C-H band polarity. Consequently, several such interactions may play a significant role in the stability of macromolecular structures.

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Document Details

Document Type
Technical Report
Publication Date
Oct 01, 1998
Accession Number
ADA354823

Entities

People

  • David B. Goodin
  • Duncan E. Mcree
  • Gerard M. Jensen
  • Rabi A. Musah
  • Robin J. Rosenfeld

Organizations

  • United States Army Research Laboratory

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Chemical Reactions
  • Chemistry
  • Crystal Structure
  • Electric Fields
  • Electron Density
  • Electrons
  • Free Energy
  • H Band
  • Heterocyclic Compounds
  • Hydrogen
  • Hydrogen Bonds
  • Magnetic Resonance
  • Military Research
  • Nuclear Magnetic Resonance
  • Organic Compounds
  • Polarity
  • Small Molecules

Readers

  • Molecular and Cellular Biochemistry
  • Optical Physics and Photonics.
  • Organic Chemistry