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Jun 8 – 11, 2021 Online only
Europe/Berlin timezone
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Dynamics of IDP Histatin 5 probed by QENS and compared with simulation

Jun 9, 2021, 1:00 PM
Poster Protein structure, function and dynamics Poster Session


Eric Fagerberg (Lund University, Division of Theoretical Chemistry)


Intrinsically disordered proteins (IDPs) adopt a wide variety of conformations in solution, without a distinct equilibrium structure. Here, we investigate the dynamics of IDPs, using the antimicrobial saliva protein Histatin 5 as model. A suitable technique for this purpose is quasi- elastic neutron scattering (QENS), which through the incoherent scattering probes the self- diffusion of particles on biologically relevant length- and timescales. Here, focus is on the center-of-mass diffusion, considering dynamics with respect to temperature and self- crowding effects. The diffusion obtained is a convolution of translational and rotational diffusion, but implicit relations between these are known. Therefore, atomistic molecular dynamics simulations previously performed are analyzed to compare with the experimentally achieved results., providing further insight into the dynamical properties of IDPs and how these are affected by self-crowding and temperature.

Primary author

Eric Fagerberg (Lund University, Division of Theoretical Chemistry)


Sam Lenton (Lund University, Division of Physical Chemistry) Tilo Seydel (Institut Max von Laue - Paul Langevin) Prof. Marie Skepö (Lund University, Theoretical chemistry)

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