Amino acid interacting network in the receptor-binding domain of SARS-CoV-2 spike protein.

ABSTRACT: The relation between amino acid (AA) sequence and biologically active conformation controls the process of polypeptide chains folding into three-dimensional (3d) protein structures. The recent achievements in the resolution achieved in cryo-electron microscopy coupled with improvements in computational methodologies have accelerated the analysis of structures and properties of proteins. However, the detailed interaction between AAs has not been fully elucidated. Herein, we present a de novo method to evaluate inter-amino acid interactions based on the concept of accurately evaluating the amino acid bond pairs (AABP). The results obtained enabled the identification of complex 3d long-range interconnected AA interacting network in proteins. The method is applied to the receptor bindin

SUBMITTER: Adhikari P 

PROVIDER: S-EPMC9057398 | biostudies-literature | 2020 Oct

REPOSITORIES: biostudies-literature