N-H Spin-Spin Couplings: Probing Hydrogen Bonds In Proteins

摘要

Hydrogen bonds are essential for the structure of many biochemical compounds. Protein folding, the formation of amyloid aggregates, enzymatic catalysis, drug-receptor interactions, and many other phenomena are intrinsically connected to hydrogen bonding. NMR chemical shifts, anisotropics of the chemical shifts, and nuclear quadru-pole coupling constants are influenced by hydrogen bonding, making NMR spectroscopy a key tool for the detection and characterization of hydrogen bonds. The experimental observation of NMR spin-spin coupling constants across hydrogen bonds allows the direct detection of hydrogen bonding in proteins. In addition, detailed insight into the nature of hydrogen bonds can be obtained by theoretical calculations.