Folding and self-assembly of a small heterotetramer

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YAŞAR F., SIERADZAN A. K., HANSMANN U. H. E.

JOURNAL OF CHEMICAL PHYSICS, vol.140, no.10, 2014 (SCI-Expanded) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 140 Issue: 10
  • Publication Date: 2014
  • Doi Number: 10.1063/1.4868140
  • Journal Name: JOURNAL OF CHEMICAL PHYSICS
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Hacettepe University Affiliated: Yes

Abstract

Designed miniproteins offer a possibility to study folding and association of protein complexes, both experimentally and in silico. Using replica exchange molecular dynamics and the coarse-grain UNRES force field, we have simulated the folding and self-assembly of the heterotetramer BBAThet1, comparing it with that of the homotetramer BBAT1 which has the same size and beta beta alpha-fold. For both proteins, association of the tetramer precedes and facilitates folding of the individual chains. (C) 2014 AIP Publishing LLC.