Hydrophobic Collapse in Multidomain Protein Folding
10.1126/science.1101176
Crossref journal-article
American Association for the Advancement of Science (AAAS)
Science (221)
Abstract

We performed molecular dynamics simulations of the collapse of a two-domain protein, the BphC enzyme, into a globular structure to examine how water molecules mediate hydrophobic collapse of proteins. In the interdomain region, liquid water persists with a density 10to 15% lower than in the bulk, even at small domain separations. Water depletion and hydrophobic collapse occur on a nanosecond time scale, which is two orders of magnitude slower than that found in the collapse of idealized paraffin-like plates. When the electrostatic protein-water forces are turned off, a dewetting transition occurs in the interdomain region and the collapse speeds up by more than an order of magnitude. When attractive van der Waals forces are turned off as well, the dewetting in the interdomain region is more profound, and the collapse is even faster.

Bibliography

Zhou, R., Huang, X., Margulis, C. J., & Berne, B. J. (2004). Hydrophobic Collapse in Multidomain Protein Folding. Science, 305(5690), 1605–1609.

Authors 4
  1. Ruhong Zhou (first)
  2. Xuhui Huang (additional)
  3. Claudio J. Margulis (additional)
  4. Bruce J. Berne (additional)
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Dates
Type When
Created 20 years, 11 months ago (Sept. 9, 2004, 5:17 p.m.)
Deposited 1 year, 7 months ago (Jan. 9, 2024, 9:05 p.m.)
Indexed 1 month ago (July 25, 2025, 5:55 a.m.)
Issued 20 years, 11 months ago (Sept. 10, 2004)
Published 20 years, 11 months ago (Sept. 10, 2004)
Published Print 20 years, 11 months ago (Sept. 10, 2004)
Funders 0

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@article{Zhou_2004, title={Hydrophobic Collapse in Multidomain Protein Folding}, volume={305}, ISSN={1095-9203}, url={http://dx.doi.org/10.1126/science.1101176}, DOI={10.1126/science.1101176}, number={5690}, journal={Science}, publisher={American Association for the Advancement of Science (AAAS)}, author={Zhou, Ruhong and Huang, Xuhui and Margulis, Claudio J. and Berne, Bruce J.}, year={2004}, month=sep, pages={1605–1609} }