Pressure-induced protein-folding/unfolding kinetics

Proc Natl Acad Sci U S A. 1999 Dec 21;96(26):14848-53. doi: 10.1073/pnas.96.26.14848.

Abstract

We use an off-lattice minimalist model to describe the effects of pressure in slowing down the folding/unfolding kinetics of proteins when subjected to increasingly larger pressures. The potential energy function used to describe the interactions between beads in the model includes the effects of pressure on the pairwise interaction of hydrophobic groups in water. We show that pressure affects the participation of contacts in the transition state. More significantly, pressure exponentially decreases the chain reconfigurational diffusion coefficient. These results are consistent with experimental results on the kinetics of pressure-denaturation of staphylococcal nuclease.

Publication types

  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Computer Simulation
  • Diffusion
  • Hydrostatic Pressure
  • Kinetics
  • Micrococcal Nuclease / chemistry*
  • Models, Chemical
  • Protein Denaturation*
  • Protein Folding*
  • Thermodynamics

Substances

  • Micrococcal Nuclease