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Mechanism of Fast Peptide Recognition by SH3 Domains
Author(s) -
Ahmad Mazen,
Gu Wei,
Helms Volkhard
Publication year - 2008
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200801856
Subject(s) - sh3 domain , dewetting , curse of dimensionality , peptide , mechanism (biology) , molecular dynamics , chemistry , molecular recognition , domain (mathematical analysis) , computational biology , biophysics , nanotechnology , computer science , materials science , molecule , physics , biochemistry , biology , artificial intelligence , proto oncogene tyrosine protein kinase src , computational chemistry , mathematics , receptor , organic chemistry , thin film , quantum mechanics , mathematical analysis
The complete pathway of the association of a proline‐rich motif to an SH3 domain was probed by molecular dynamics simulations. The results indicate a bimodal binding mechanism, in which nature uses the reduction in dimensionality and hydrophobic dewetting as tools to find a simple solution to a seemingly complicated binding process.