ct8b00755_si_001.pdf (14.97 MB)
Download fileBinding Pockets in Proteins Induced by Mechanical Stress
journal contribution
posted on 10.12.2018, 15:18 authored by Matteo Tiberti, Bob-Dan Lechner, Arianna ForniliWe
report the first observation of a pocket that opens as a result
of a mechanical force applied to an Ig-like domain from the cardiac
muscle. This previously unseen mechanism of pocket formation is revealed
by molecular dynamics simulations under force. Preliminary investigations
show that this “mechano-pocket” is potentially druggable
and could be found in other domains from the same fold family, suggesting
the existence of a general mechanism of pocket formation under mechanical
stress.