Unraveling protein's structural dynamics: from configurational dynamics to ensemble switching guides functional mesoscale assemblies.

ABSTRACT: Evidence regarding protein structure and function manifest the imperative role that dynamics play in proteins, underlining reconsideration of the unanimated sequence-to-structure-to-function paradigm. Structural dynamics portray a heterogeneous energy landscape described by conformational ensembles where each structural representation can be responsible for unique functions or enable macromolecular assemblies. Using the human p27/Cdk2/Cyclin A ternary complex as an example, we highlight the vital role of intramolecular and intermolecular dynamics for target recognition, binding, and inhibition as a critical modulator of cell division. Rapidly sampling configurations is critical for the population of different conformational ensembles encoding functional roles. To garner this knowledge, we

SUBMITTER: Medina E 

PROVIDER: S-EPMC7965259 | biostudies-literature | 2021 Feb

REPOSITORIES: biostudies-literature