The fine structure of proteins: detection, characterization and implications. Part 1.

24^th February 2023, 14:00
Luigi Vitagliano
Institute of Biostructures and Bioimaging, Italian National Research Council

Abstract

Proteins combine an extraordinary structural complexity with fine structural regulations that operates in response to environmental stimuli. Indeed, fundamental protein activities often rely on extremely subtle structural features that are frequently dictated by physical forces of limited strengths. Therefore, the elucidation of the basis of protein functionalities frequently requires accurate determinations of their intricate structures. Exploiting the impressive amount of data reported in structural databases (PDB and CSD), we have highlighted the interplay occurring between the geometry of the peptide bond, expressed in terms bond lengths, valence bond and plane distortions, and the local conformation of the polypeptide chains. The elucidation of this correlation has interesting implications (a) for protein structure validation and quality assessment, (b) for the definition of the structural bases of amino-acid conformational preferences, (c) for the identification of secondary forces impacting protein structures, and for the evaluation of force fields commonly used in molecular modelling and dynamics.