DOI: 10.1073/pnas.0405904101. Understanding the key factors that control the rate of β-hairpin folding [Penn]

Understanding the key factors that control the rate of β-hairpin folding

10.1073/pnas.0405904101

Crossref journal-article

Proceedings of the National Academy of Sciences

Proceedings of the National Academy of Sciences (341)

Abstract

Both turn sequence and interstrand hydrophobic side-chain–side-chain interaction have been suggested to be important determinants of β-hairpin stability. However, their roles in controlling the folding dynamics of β-hairpins have not been clearly determined. Herein, we investigated the structural stability and folding kinetics of a series of tryptophan zippers by static IR and CD spectroscopies and the IR temperature jump method. Our results support a β-hairpin folding mechanism wherein the rate-limiting event corresponds to the formation of the turn. We find that the logarithm of the folding rate depends linearly on the entropic change associated with the turn formation, where faster folding correlates with lower entropic cost. Moreover, a stronger turn-promoting sequence increases the stability of a β-hairpin primarily by increasing its folding rate, whereas a stronger hydrophobic cluster increases the stability of a β-hairpin primarily by decreasing its unfolding rate.

Bibliography

Du, D., Zhu, Y., Huang, C.-Y., & Gai, F. (2004). Understanding the key factors that control the rate of Î²-hairpin folding. Proceedings of the National Academy of Sciences, 101(45), 15915â15920.

Authors 4

Deguo Du (first)
Yongjin Zhu (additional)
Cheng-Yen Huang (additional)
Feng Gai (additional)

References 47 Referenced 184

Dates

Type	When
Created	20 years, 9 months ago (Nov. 2, 2004, 9:58 p.m.)
Deposited	3 years, 4 months ago (April 12, 2022, 9:24 a.m.)
Indexed	2 months ago (June 24, 2025, 3:47 a.m.)
Issued	20 years, 9 months ago (Nov. 1, 2004)
Published	20 years, 9 months ago (Nov. 1, 2004)
Published Online	20 years, 9 months ago (Nov. 1, 2004)
Published Print	20 years, 9 months ago (Nov. 9, 2004)

Funders 0

None

BibTeX

@article{Du_2004, title={Understanding the key factors that control the rate of β-hairpin folding}, volume={101}, ISSN={1091-6490}, url={http://dx.doi.org/10.1073/pnas.0405904101}, DOI={10.1073/pnas.0405904101}, number={45}, journal={Proceedings of the National Academy of Sciences}, publisher={Proceedings of the National Academy of Sciences}, author={Du, Deguo and Zhu, Yongjin and Huang, Cheng-Yen and Gai, Feng}, year={2004}, month=nov, pages={15915–15920} }

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  "abstract": "<jats:p>Both turn sequence and interstrand hydrophobic side-chain\u2013side-chain interaction have been suggested to be important determinants of \u03b2-hairpin stability. However, their roles in controlling the folding dynamics of \u03b2-hairpins have not been clearly determined. Herein, we investigated the structural stability and folding kinetics of a series of tryptophan zippers by static IR and CD spectroscopies and the IR temperature jump method. Our results support a \u03b2-hairpin folding mechanism wherein the rate-limiting event corresponds to the formation of the turn. We find that the logarithm of the folding rate depends linearly on the entropic change associated with the turn formation, where faster folding correlates with lower entropic cost. Moreover, a stronger turn-promoting sequence increases the stability of a \u03b2-hairpin primarily by increasing its folding rate, whereas a stronger hydrophobic cluster increases the stability of a \u03b2-hairpin primarily by decreasing its unfolding rate.</jats:p>",
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