Revealing buried hydrogen bonds

Hydrogen Bonds

Evaluation of direct and cooperative contributions towards the strength of buried hydrogen bonds and salt bridges.

An experimental approach to evaluate the net binding free energy of buried hydrogen bonds and salt bridges is presented. The approach, which involves a modified multiple-mutant cycle protocol, was applied to selected interactions between TEM-1-beta-lactamase and its protein inhibitor, BLIP. The selected interactions (two salt bridges and two hydrogen bonds) all involving BLIP-D49, define a dist...

Short hydrogen bonds in proteins.

Short hydrogen bonds are present in many chemical and biological systems. It is well known that these short hydrogen bonds are found in the active site of enzymes and aid enzyme catalysis. This study aims to systematically characterize all short hydrogen bonds from a nonredundant dataset of protein structures. The study has revealed that short hydrogen bonds are commonly found in proteins and a...

Vibrational dynamics of hydrogen bonds

Correlated Tunneling in Hydrogen Bonds

We study the quantum nature of the protons participating in hydrogen bonds in several ice structures by analyzing the one particle density matrix. We find that in all cases, including ice Ih, the most common form of ice, and the high pressure phases, ice VIII, VII, and X, the system is ground-state dominated. However, while the dynamics is uncorrelated in the structures with standard asymmetric...