Epitope profiling using computational structural modelling demonstrated on coronavirus-binding antibodies.

ABSTRACT: Identifying the epitope of an antibody is a key step in understanding its function and its potential as a therapeutic. Sequence-based clonal clustering can identify antibodies with similar epitope complementarity, however, antibodies from markedly different lineages but with similar structures can engage the same epitope. We describe a novel computational method for epitope profiling based on structural modelling and clustering. Using the method, we demonstrate that sequence dissimilar but functionally similar antibodies can be found across the Coronavirus Antibody Database, with high accuracy (92% of antibodies in multiple-occupancy structural clusters bind to consistent domains). Our approach functionally links antibodies with distinct genetic lineages, species origins, and coronavirus s

SUBMITTER: Robinson SA 

PROVIDER: S-EPMC8700021 | biostudies-literature | 2021 Dec

REPOSITORIES: biostudies-literature