V_H -V_L interdomain dynamics observed by computer simulations and NMR.

ABSTRACT: The relative orientation of the two variable domains, V_H and V_L , influences the shape of the antigen binding site, that is, the paratope, and is essential to understand antigen specificity. ABangle characterizes the V_H -V_L orientation by using five angles and a distance and compares it to other known structures. Molecular dynamics simulations of antibody variable domains (Fvs) reveal fluctuations in the relative domain orientations. The observed dynamics between these domains are confirmed by NMR experiments on a single-chain variable fragment antibody (scFv) in complex with IL-1β and an antigen-binding fragment (Fab). The variability of these relative domain orientations can be interpreted as a structural feature of antibodies, which increases

SUBMITTER: Fernandez-Quintero ML 

PROVIDER: S-EPMC7317758 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature