Dynamic Personalities of Proteins
Abstract:
The synergy between structure and dynamics is essential to the function of biological macromolecules. While this is a widely accepted concept, key questions remain: Have proteins evolved so that substates necessary for activity are preferable accessible? How do motions on different timescales relate to each other and contribute to biological function?
The lecture will address these questions. First, we show experimentally that motions in enzymes are not random but preferentially follow the pathways, which create the configuration capable of proficient chemistry. This situation is analogous to protein folding, which is biased so as to sample only a small portion of the energy landscape. The expansion of the concept of non-random sampling of conformational space for efficient biological function from folding to conformational rearrangements within the folded space combines both phenomena through the energy landscape. The timescale and amplitude of motion were characterized by a combination of NMR relaxation, x-ray, single molecule FRET experiments and molecular dynamics simulations. The determined predisposition of enzymes to move in the direction utilized for catalysis may be a key factor for the efficiency of biocatalysts.
Second, the hierarchy in space and time for proteins is discussed. The linkage between three different “tiers” of dynamic timescales: (i) Thermally driven, fast (ps), local atomic fluctuations, (ii) faster (ns) motions of whole segments and (iii) larger amplitude, collective, slower motions ( ms-ms), the time-scale of catalysis is characterized. Besides this linkage, a direct connection from those dynamic features to function and stability is made.
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