Dynamics-Evolution Correspondence in Protein Structures

Phys Rev Lett. 2021 Aug 27;127(9):098103. doi: 10.1103/PhysRevLett.127.098103.

Abstract

The genotype-phenotype mapping of proteins is a fundamental question in structural biology. In this Letter, with the analysis of a large dataset of proteins from hundreds of protein families, we quantitatively demonstrate the correlations between the noise-induced protein dynamics and mutation-induced variations of native structures, indicating the dynamics-evolution correspondence of proteins. Based on the investigations of the linear responses of native proteins, the origin of such a correspondence is elucidated. It is essential that the noise- and mutation-induced deformations of the proteins are restricted on a common low-dimensional subspace, as confirmed from the data. These results suggest an evolutionary mechanism of the proteins gaining both dynamical flexibility and evolutionary structural variability.

MeSH terms

  • Coronavirus 3C Proteases / chemistry
  • Coronavirus 3C Proteases / genetics
  • Evolution, Molecular
  • Genetic Association Studies
  • Models, Chemical*
  • Mutation
  • Protein Conformation
  • Proteins / chemistry*
  • Proteins / genetics*

Substances

  • Proteins
  • Coronavirus 3C Proteases