The influence of amino acid side chains on water binding to the copper(II) in bis(N,N-dimethyl-L-alpha-isoleucinato)-copper(II): an EPR and molecular mechanics study

Cell Mol Biol Lett. 2002;7(1):151-3.

Abstract

Simulations were done of the electron paramagnetic resonance (EPR) spectra for bis(N,N-dimethyl-L-alpha-isoleucinato)copper(II) dissolved in deuterated methanol as a function of temperature. They indicated different behaviour of the complex below and above 300 degrees K. The effect was examined by the conformational analysis of the copper(II) complex with a new molecular mechanics force field.

MeSH terms

  • Amino Acids / chemistry*
  • Copper / chemistry*
  • Electron Spin Resonance Spectroscopy
  • Hydrophobic and Hydrophilic Interactions
  • Isoleucine / analogs & derivatives*
  • Isoleucine / chemistry*
  • Models, Molecular
  • Molecular Conformation
  • Organometallic Compounds / chemistry*
  • Temperature
  • Water / chemistry*

Substances

  • Amino Acids
  • Organometallic Compounds
  • bis(N,N-dimethyl-isoleucinato)copper(II)
  • Isoleucine
  • Water
  • Copper