Structure, dynamics and reactions of protein hydration water

Philos Trans R Soc Lond B Biol Sci. 2004 Aug 29;359(1448):1181-9; discussion 1189-90. doi: 10.1098/rstb.2004.1497.

Abstract

The apparent simplicity of the water molecule belies the wide range of fascinating protein phenomena in which it participates. We review recent computer simulation work on buried, internal water molecules, discussing the thermodynamics of water molecule binding and the participation of water in proton transfer reactions. Surface water molecules are also considered, with emphasis on the modification of average solvent structure on a protein surface, the role of water in the protein dynamical 'glass' transition and a simplified description of the protein motions thereby activated.

Publication types

  • Review

MeSH terms

  • Computer Simulation
  • Models, Chemical*
  • Myoglobin / metabolism
  • Protein Binding / physiology
  • Proteins / metabolism*
  • Protons*
  • Solvents / chemistry
  • Temperature
  • Thermodynamics
  • Water / chemistry*
  • Water / metabolism*

Substances

  • Myoglobin
  • Proteins
  • Protons
  • Solvents
  • Water