Prediction of the multimeric assembly of staphylococcal enterotoxin A with cell-surface protein receptors

L Cuff, RG Ulrich, MA Olson - Journal of Molecular Graphics and Modelling, 2003 - Elsevier
Staphylococcal enterotoxin A (SEA) cross-links two class II major histocompatibility complex
(MHC) molecules and forms a multimeric assembly with T-cell receptors (TcRs). The X-ray
crystal structure of SEA has been solved, yet details describing molecular recognition and
association remain unclear. We present a structural model for the interactions of SEA with
cell-surface proteins. Molecular docking calculations predicting SEA association with the
class II MHC molecule HLA-DR1 were performed by using a rigid-body docking method …
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