Anders Irbäck
Professor
Equilibrium simulation of trp-cage in the presence of protein crowders.
Författare
Summary, in English
While steric crowders tend to stabilize globular proteins, it has been found that protein crowders can have an either stabilizing or destabilizing effect, where a destabilization may arise from nonspecific attractive interactions between the test protein and the crowders. Here, we use Monte Carlo replica-exchange methods to explore the equilibrium behavior of the miniprotein trp-cage in the presence of protein crowders. Our results suggest that the surrounding crowders prevent trp-cage from adopting its global native fold, while giving rise to a stabilization of its main secondary-structure element, an α-helix. With the crowding agent used (bovine pancreatic trypsin inhibitor), the trp-cage-crowder interactions are found to be specific, involving a few key residues, most of which are prolines. The effects of these crowders are contrasted with those of hard-sphere crowders.
Avdelning/ar
- Beräkningsbiologi och biologisk fysik - Genomgår omorganisation
Publiceringsår
2015
Språk
Engelska
Publikation/Tidskrift/Serie
Journal of Chemical Physics
Volym
143
Issue
17
Fulltext
Dokumenttyp
Artikel i tidskrift
Förlag
American Institute of Physics (AIP)
Ämne
- Other Physics Topics
- Biophysics
Status
Published
ISBN/ISSN/Övrigt
- ISSN: 0021-9606