Relative free enthalpies for point mutations in two proteins with highly similar sequences but different folds

Biochemistry. 2013 Jul 23;52(29):4962-70. doi: 10.1021/bi400272q. Epub 2013 Jul 11.

Abstract

Enveloping distribution sampling was used to calculate free-enthalpy changes associated with single amino acid mutations for a pair of proteins, GA95 and GB95, that show 95% sequence identity yet fold into topologically different structures. Of the L → A, I → F, and L → Y mutations at positions 20, 30, and 45, respectively, of the 56-residue sequence, the first and the last contribute the most to the free-enthalpy difference between the native and non-native sequence-structure combinations, in agreement with the experimental findings for this protein pair. The individual free-enthalpy changes are almost sequence-independent in the four-strand/one-helix structure, the stable form of GB95, while in the three-helix bundle structure, the stable form of GA95, an interplay between residues 20 and 45 is observed.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Amino Acids / chemistry
  • Point Mutation*
  • Protein Folding*
  • Proteins / chemistry*
  • Thermodynamics*

Substances

  • Amino Acids
  • Proteins