Conformational selection of allergen-antibody complexes-surface plasticity of paratopes and epitopes.

ABSTRACT: Antibodies have the ability to bind various types of antigens and to recognize different antibody-binding sites (epitopes) of the same antigen with different binding affinities. Due to the conserved structural framework of antibodies, their specificity to antigens is mainly determined by their antigen-binding site (paratope). Therefore, characterization of epitopes in combination with describing the involved conformational changes of the paratope upon binding is crucial in understanding and predicting antibody-antigen binding. Using molecular dynamics simulations complemented with strong experimental structural information, we investigated the underlying binding mechanism and the resulting local and global surface plasticity in the binding interfaces of distinct antibody-antigen complexes.

SUBMITTER: Fernandez-Quintero ML 

PROVIDER: S-EPMC7451023 | biostudies-literature | 2019 Dec

REPOSITORIES: biostudies-literature