Ontology highlight
ABSTRACT:
SUBMITTER: Wieczorek M
PROVIDER: S-EPMC5105163 | biostudies-literature | 2016 Nov
REPOSITORIES: biostudies-literature
Wieczorek Marek M Sticht Jana J Stolzenberg Sebastian S Günther Sebastian S Wehmeyer Christoph C El Habre Zeina Z Álvaro-Benito Miguel M Noé Frank F Freund Christian C
Nature communications 20161109
The presentation of peptide-MHCII complexes (pMHCIIs) for surveillance by T cells is a well-known immunological concept in vertebrates, yet the conformational dynamics of antigen exchange remain elusive. By combining NMR-detected H/D exchange with Markov modelling analysis of an aggregate of 275 microseconds molecular dynamics simulations, we reveal that a stable pMHCII spontaneously samples intermediate conformations relevant for peptide exchange. More specifically, we observe two major peptide ...[more]