Enhanced protein steering: cooperative electrostatic and van der Waals forces in antigen-antibody complexes

J Phys Chem B. 2009 Jul 30;113(30):10459-64. doi: 10.1021/jp904541g.

Abstract

We study the association of the cationic protein lysozyme with several almost neutral protein fragments but with highly uneven charge distributions. Using mesoscopic protein models, we show how electrostatic interactions can align or steer protein complexes into specific constellations dictated by the specific charge distributions of the interacting biomolecules. Including van der Waals forces significantly amplifies the electrostatically induced orientational steering at physiological solution conditions, demonstrating that different intermolecular interactions can work in a cooperative way in order to optimize specific biochemical mechanisms. Individually, the electrostatic and van der Waals interactions lead only to a relatively weak intermolecular alignment, but when combined, the effect increases significantly.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Anisotropy
  • Antibodies / chemistry
  • Antibodies / immunology*
  • Antigens / immunology*
  • Immunoglobulin Fab Fragments / chemistry
  • Immunoglobulin Fab Fragments / immunology
  • Models, Molecular
  • Monte Carlo Method
  • Muramidase / chemistry
  • Muramidase / immunology
  • Protein Binding
  • Protein Conformation
  • Static Electricity*
  • Thermodynamics

Substances

  • Antibodies
  • Antigens
  • Immunoglobulin Fab Fragments
  • Muramidase