Aggregation of Chameleon Peptides: Implications of α-Helicity in Fibril Formation

J Phys Chem B. 2016 Jul 7;120(26):5874-83. doi: 10.1021/acs.jpcb.6b00830. Epub 2016 Apr 1.

Abstract

We investigate the relationship between the inherent secondary structure and aggregation propensity of peptides containing chameleon sequences (i.e., sequences that can adopt either α or β structure depending on context) using a combination of replica exchange molecular dynamics simulations, ion-mobility mass spectrometry, circular dichroism, and transmission electron microscopy. We focus on an eight-residue long chameleon sequence that can adopt an α-helical structure in the context of the iron-binding protein from Bacillus anthracis (PDB id 1JIG ) and a β-strand in the context of the baculovirus P35 protein (PDB id 1P35 ). We show that the isolated chameleon sequence is intrinsically disordered, interconverting between α-helical and β-rich conformations. The inherent conformational plasticity of the sequence can be constrained by addition of flanking residues with a given secondary structure propensity. Intriguingly, we show that the chameleon sequence with helical flanking residues aggregates rapidly into fibrils, whereas the chameleon sequence with flanking residues that favor β-conformations has weak aggregation propensity. This work sheds new insights into the possible role of α-helical intermediates in fibril formation.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Amino Acid Sequence
  • Bacillus anthracis / chemistry
  • Bacterial Proteins / chemistry*
  • Baculoviridae / chemistry
  • Intrinsically Disordered Proteins / chemistry*
  • Iron-Binding Proteins / chemistry*
  • Kinetics
  • Molecular Dynamics Simulation
  • Peptides / chemical synthesis
  • Peptides / chemistry*
  • Protein Aggregates*
  • Protein Conformation, alpha-Helical
  • Protein Conformation, beta-Strand
  • Protein Interaction Domains and Motifs
  • Thermodynamics
  • Viral Proteins / chemistry*

Substances

  • Bacterial Proteins
  • Intrinsically Disordered Proteins
  • Iron-Binding Proteins
  • Peptides
  • Protein Aggregates
  • Viral Proteins
  • p35 protein, Baculovirus