Insights into protein-DNA interactions from hydrogen bond energy-based comparative protein-ligand analyses.

ABSTRACT: Hydrogen bonds play important roles in protein folding and protein-ligand interactions, particularly in specific protein-DNA recognition. However, the distributions of hydrogen bonds, especially hydrogen bond energy (HBE) in different types of protein-ligand complexes, is unknown. Here we performed a comparative analysis of hydrogen bonds among three non-redundant datasets of protein-protein, protein-peptide, and protein-DNA complexes. Besides comparing the number of hydrogen bonds in terms of types and locations, we investigated the distributions of HBE. Our results indicate that while there is no significant difference of hydrogen bonds within protein chains among the three types of complexes, interfacial hydrogen bonds are significantly more prevalent in protein-DNA complexes. More impo

SUBMITTER: Malik FK 

PROVIDER: S-EPMC9018545 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature