Identifying and profiling structural similarities between Spike of SARS-CoV-2 and other viral or host proteins with Machaon.

ABSTRACT: Using protein structure to predict function, interactions, and evolutionary history is still an open challenge, with existing approaches relying extensively on protein homology and families. Here, we present Machaon, a data-driven method combining orientation invariant metrics on phi-psi angles, inter-residue contacts and surface complexity. It can be readily applied on whole structures or segments-such as domains and binding sites. Machaon was applied on SARS-CoV-2 Spike monomers of native, Delta and Omicron variants and identified correlations with a wide range of viral proteins from close to distant taxonomy ranks, as well as host proteins, such as ACE2 receptor. Machaon's meta-analysis of the results highlights structural, chemical and transcriptional similarities between the Spike mon

SUBMITTER: Kakoulidis P 

PROVIDER: S-EPMC10356814 | biostudies-literature | 2023 Jul

REPOSITORIES: biostudies-literature