The recent release of viral genomic data from several countries has provided clues into a fast-evolving SARS-CoV-2 population. In contrast to the first few months of the current pandemic that revealed 98% of the viral genome as mutation-free, the current mutation rate appears rather rapid. In particular, the recent genomic instability observed in the spike protein necessitates immediate action and further exploration in context of viral-host interactions. Experimental studies have ramped up to explain the properties of selected mutants but extensive clinical characterization is time-consuming. Here, we have combined large-scale genomic data of SARS-CoV-2 spike protein and conformational analysis of both experimentally derived cryo-EM structures and molecular dynamics simulations. Analysis of 3,11,795 genomes from GISAID revealed increased co-occurring mutations on selected motifs across the length of the protein. The dynamical changes within these variant regions were investigated and we observed key position-dependent molecular changes that may directly impact antibody binding. Our mutant-specific spike protein study also illustrates key factors that can be studied using big biological data from structural and genomic resources.

Mapping of SARS-CoV-2 spike protein mutations based on conformational flexibility

ACS Spring Meeting 2021

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.