Fuzziness and Frustration in the Energy Landscape of Protein Folding, Function, and Assembly.

ABSTRACT: Are all protein interactions fully optimized? Do suboptimal interactions compromise specificity? What is the functional impact of frustration? Why does evolution not optimize some contacts? Proteins and their complexes are best described as ensembles of states populating an energy landscape. These ensembles vary in breadth from narrow ensembles clustered around a single average X-ray structure to broader ensembles encompassing a few different functional "taxonomic" states on to near continua of rapidly interconverting conformations, which are called "fuzzy" or even "intrinsically disordered". Here we aim to provide a comprehensive framework for confronting the structural and dynamical continuum of protein assemblies by combining the concepts of energetic frustration and interaction fuzzine

SUBMITTER: Gianni S 

PROVIDER: S-EPMC8023570 | biostudies-literature | 2021 Mar

REPOSITORIES: biostudies-literature