A systematic analysis of the effect of small-molecule binding on protein flexibility of the ligand-binding sites

J Med Chem. 2005 Sep 8;48(18):5648-50. doi: 10.1021/jm050276n.

Abstract

Using atomic B-factors from high-resolution crystal structures of proteins and protein-ligand complexes, we have studied the effect of small-molecule ligand binding on protein flexibility. For the majority of proteins studied, ligand binding to a protein results in an increase in atomic mobility for some protein atoms at the ligand-binding site, and it leads to an increase in protein flexibility of the entire ligand-binding site in several cases.

MeSH terms

  • Binding Sites
  • Ligands*
  • Models, Molecular
  • Pliability
  • Protein Binding
  • Protein Conformation
  • Proteins / chemistry*

Substances

  • Ligands
  • Proteins