Communication: Chemical functionality of interfacial water enveloping nanoscale structural defects in proteins

J Chem Phys. 2014 Jun 14;140(22):221102. doi: 10.1063/1.4882895.

Abstract

Building upon a non-Debye multiscale treatment of water dielectrics, this work reveals the biochemical role of interfacial water enveloping nanoscale structural defects in soluble proteins, asserting its role as a chemical base. This quasi-reactant status is already implied by the significant concentration of structural defects in the vicinity of an enzymatically active site, delineating their role as promoters or enhancers of catalytic activity.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Catalysis
  • Catalytic Domain*
  • Nanostructures / chemistry
  • Proteins / chemistry*
  • Structure-Activity Relationship
  • Water / chemistry*

Substances

  • Proteins
  • Water