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The dynamical contact order: Protein folding rate parameters based on quantum conformational transitions

Science China Life Sciences volume 54, pages 386–392 (2011)Cite this article

Abstract

Protein folding is regarded as a quantum transition between the torsion states of a polypeptide chain. According to the quantum theory of conformational dynamics, we propose the dynamical contact order (DCO) defined as a characteristic of the contact described by the moment of inertia and the torsion potential energy of the polypeptide chain between contact residues. Consequently, the protein folding rate can be quantitatively studied from the point of view of dynamics. By comparing theoretical calculations and experimental data on the folding rate of 80 proteins, we successfully validate the view that protein folding is a quantum conformational transition. We conclude that (i) a correlation between the protein folding rate and the contact inertial moment exists; (ii) multi-state protein folding can be regarded as a quantum conformational transition similar to that of two-state proteins but with an intermediate delay. We have estimated the order of magnitude of the time delay; (iii) folding can be classified into two types, exergonic and endergonic. Most of the two-state proteins with higher folding rate are exergonic and most of the multi-state proteins with low folding rate are endergonic. The folding speed limit is determined by exergonic folding.

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Affiliations

  1. Laboratory of Theoretical Biophysics, Faculty of Physical Science and Technology, Inner Mongolia University, Hohhot, 010021, China

    Ying Zhang & LiaoFu Luo

  2. Center for Physics Experiment, College of Science, Inner Mongolia University of Technology, Hohhot, 010051, China

    Ying Zhang

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  1. Ying Zhang
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  2. LiaoFu Luo
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Correspondence to LiaoFu Luo.

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Zhang, Y., Luo, L. The dynamical contact order: Protein folding rate parameters based on quantum conformational transitions. Sci. China Life Sci. 54, 386–392 (2011). https://doi.org/10.1007/s11427-011-4158-x

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  • DOI: https://doi.org/10.1007/s11427-011-4158-x

Keywords

  • moment of inertia
  • dynamical contact order (DCO)
  • protein folding rate