Date of Original Version

1-1-2015

Type

Article

PubMed ID

26402709

Rights Management

© 2015 by the authors; licensee MDPI, Basel, Switzerland.

Abstract or Description

The interactions of the basic, cell-penetrating region (Y47GRKKRRQRRR57) of the HIV-1 Tat protein with dioleoylphosphatidylcholine (DOPC) bilayers were previously assessed by comparing experimental X-ray diffuse scattering with atomistic molecular dynamics simulations. Here, we extend this investigation by evaluating the influence of phosphatidylethanolamine (PE) lipids. Using experimental bilayer form factors derivedfrom X-ray diffuse scattering data as a guide, our simulations indicate that Tat peptides localize close to the carbonyl-glycerol group in the headgroup region of bilayers composed of either DOPC or DOPC:DOPE (1:1) lipid. Our results also suggest that Tat peptides may more frequently insert into the hydrophobic core of bilayers composed of PC:PE (1:1) lipids than into bilayers composed entirely of PC lipids. PE lipids may facilitate peptide translocation across a lipid bilayer by stabilizing intermediate states in which hydrated peptides span the bilayer.

DOI

10.3390/membranes5030473

Creative Commons


This work is licensed under a Creative Commons Attribution 4.0 License.

Included in

Physics Commons

Share

COinS
 

Published In

Membranes, 5, 3, 473-494.