Coiled-coils in phage display screening: insight into exceptional selectivity provided by molecular dynamics

J Chem Inf Model. 2015 Mar 23;55(3):495-500. doi: 10.1021/ci500689c. Epub 2015 Feb 12.

Abstract

Involved in numerous key biological functions, protein helix-helix interactions follow a well-defined intermolecular recognition pattern. The characteristic structure of the α-helical coiled-coil allows for the specific randomization of clearly defined interaction partners within heteromeric systems. In this work, a rationally designed heterodimeric coiled-coil was used to investigate potential factors influencing the sequence selectivity in interhelical interactions.

MeSH terms

  • Bacteriophages / metabolism*
  • Circular Dichroism
  • Models, Molecular
  • Molecular Dynamics Simulation
  • Peptide Library*
  • Protein Conformation
  • Protein Multimerization
  • Proteins / chemistry*
  • Proteins / metabolism
  • Tyrosine / chemistry

Substances

  • Peptide Library
  • Proteins
  • Tyrosine