Focal Adhesion Kinase is a mechanosensor!
MD simulations of a FAK fragment containing the catalytic and FERM domains in different protein system are carried out to compare the dynamics of FAK in the absence or presence of ATP and PIP2. We observe a closing and opening motion upon ATP and additional PIP2 binding respectively, which is in good agreement with the FRET experiments [1]. By using Force Distribution Analysis (FDA), we identified a network spanning from the PIP2 and ATP binding sites to the distant interface between the catalytic and FERM domains.
[1] Gőni, MG. et al. (2014). PNAS. 111, 3177-3186.
About HITS
HITS, the Heidelberg Institute for Theoretical Studies, was established in 2010 by physicist and SAP co-founder Klaus Tschira (1940-2015) and the Klaus Tschira Foundation as a private, non-profit research institute. HITS conducts basic research in the natural, mathematical, and computer sciences. Major research directions include complex simulations across scales, making sense of data, and enabling science via computational research. Application areas range from molecular biology to astrophysics. An essential characteristic of the Institute is interdisciplinarity, implemented in numerous cross-group and cross-disciplinary projects. The base funding of HITS is provided by the Klaus Tschira Foundation.
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