The CH- π interaction in protein - carbohydrate binding: Bioinformatics and in vitro quantification.

In this study we analyzed the CH-π interactions employing bioinformatics (data mining, structural analysis), several experimental (ITC, X-ray crystallography) and computational techniques. The Protein Data Bank (PDB) has been used as a source of structural data. PDB contains over 12 000 protein complexes with carbohydrates.  Stacking interactions are very frequently present in such complexes (about 39% of identified structures). The calculations and the ITC measurement results suggest that the CH-π stacking contribution to the overall binding energy ranges from 4 kcal/mol up to 8 kcal/mol. All the results show that the stacking CH-π interactions in protein-carbohydrate complexes can be considered to be a driving force of the binding in such  complexes. PMID: 32208534 [PubMed - as supplied by publisher]
Source: Chemistry - Category: Chemistry Authors: Tags: Chemistry Source Type: research