Structure-Encoded Global Motions and Their Role in Mediating Protein-Substrate Interactions.

ABSTRACT: Recent structure-based computational studies suggest that, in contrast to the classical description of equilibrium fluctuations as wigglings and jigglings, proteins have access to well-defined spectra of collective motions, called intrinsic dynamics, encoded by their structure under native state conditions. In particular, the global modes of motions (at the low frequency end of the spectrum) are shown by multiple studies to be highly robust to minor differences in the structure or to detailed interactions at the atomic level. These modes, encoded by the overall fold, usually define the mechanisms of interactions with substrates. They can be estimated by low-resolution models such as the elastic network models (ENMs) exclusively based on interresidue contact topology. The ability of ENMs to

SUBMITTER: Bahar I 

PROVIDER: S-EPMC4576147 | biostudies-literature | 2015 Sep

REPOSITORIES: biostudies-literature