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The energy cost of polypeptide knot formation and its folding consequences

Author

Listed:
  • Andrés Bustamante

    (Universidad de Chile)

  • Juan Sotelo-Campos

    (Universidad Peruana Cayetano Heredia)

  • Daniel G. Guerra

    (Universidad Peruana Cayetano Heredia, Av. Honorio Delgado 430, San Martin de Porras)

  • Martin Floor

    (Universidad de Chile)

  • Christian A. M. Wilson

    (Universidad de Chile)

  • Carlos Bustamante

    (Universidad Peruana Cayetano Heredia, Av. Honorio Delgado 430, San Martin de Porras
    University of California)

  • Mauricio Báez

    (Universidad de Chile)

Abstract

Knots are natural topologies of chains. Yet, little is known about spontaneous knot formation in a polypeptide chain—an event that can potentially impair its folding—and about the effect of a knot on the stability and folding kinetics of a protein. Here we used optical tweezers to show that the free energy cost to form a trefoil knot in the denatured state of a polypeptide chain of 120 residues is 5.8 ± 1 kcal mol−1. Monte Carlo dynamics of random chains predict this value, indicating that the free energy cost of knot formation is of entropic origin. This cost is predicted to remain above 3 kcal mol−1 for denatured proteins as large as 900 residues. Therefore, we conclude that naturally knotted proteins cannot attain their knot randomly in the unfolded state but must pay the cost of knotting through contacts along their folding landscape.

Suggested Citation

  • Andrés Bustamante & Juan Sotelo-Campos & Daniel G. Guerra & Martin Floor & Christian A. M. Wilson & Carlos Bustamante & Mauricio Báez, 2017. "The energy cost of polypeptide knot formation and its folding consequences," Nature Communications, Nature, vol. 8(1), pages 1-8, December.
    • Handle: RePEc:nat:natcom:v:8:y:2017:i:1:d:10.1038_s41467-017-01691-1
    DOI: 10.1038/s41467-017-01691-1
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    Cited by:

    1. Tiantian Yang & Aohua Wang & Di Nie & Weiwei Fan & Xiaohe Jiang & Miaorong Yu & Shiyan Guo & Chunliu Zhu & Gang Wei & Yong Gan, 2022. "Ligand-switchable nanoparticles resembling viral surface for sequential drug delivery and improved oral insulin therapy," Nature Communications, Nature, vol. 13(1), pages 1-16, December.

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