Literature DB >> 11087839

Protein folding and unfolding in microseconds to nanoseconds by experiment and simulation.

U Mayor1, C M Johnson, V Daggett, A R Fersht.   

Abstract

The Engrailed Homeodomain protein has the highest refolding and unfolding rate constants directly observed to date. Temperature jump relaxation measurements gave a refolding rate constant of 37,500 s(-1) in water at 25 degrees C, rising to 51,000 s(-1) around 42 degrees C. The unfolding rate constant was 1,100 s(-1) in water at 25 degrees C and 205,000 s(-1) at 63 degrees C. The unfolding half-life is extrapolated to be approximately 7.5 ns at 100 degrees C, which allows real-time molecular dynamics unfolding simulations to be tested on this system at a realistic temperature. Preliminary simulations did indeed conform to unfolding on this time scale. Further, similar transition states were observed in simulations at 100 degrees C and 225 degrees C, suggesting that high-temperature simulations provide results applicable to lower temperatures.

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Year:  2000        PMID： 11087839      PMCID： PMC17607          DOI： 10.1073/pnas.250473497

Source DB:  PubMed          Journal:  Proc Natl Acad Sci U S A        ISSN： 0027-8424            Impact factor:   11.205


  34 in total

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Journal:  Adv Protein Chem       Date:  2000

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Journal:  J Mol Biol       Date:  1999-11-05       Impact factor: 5.469

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Journal:  Annu Rev Biophys Biomol Struct       Date:  2000

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Journal:  Biochemistry       Date:  1991-10-29       Impact factor: 3.162

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Journal:  Annu Rev Biochem       Date:  1990       Impact factor: 23.643

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Authors:  A R Viguera; V Villegas; F X Avilés; L Serrano
Journal:  Fold Des       Date:  1997

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Journal:  Methods Enzymol       Date:  1986       Impact factor: 1.600

8.  Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features.

Authors:  W Kabsch; C Sander
Journal:  Biopolymers       Date:  1983-12       Impact factor: 2.505

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Authors:  K B Wong; J Clarke; C J Bond; J L Neira; S M Freund; A R Fersht; V Daggett
Journal:  J Mol Biol       Date:  2000-03-10       Impact factor: 5.469

10.  Differential DNA-binding specificity of the engrailed homeodomain: the role of residue 50.

Authors:  S E Ades; R T Sauer
Journal:  Biochemistry       Date:  1994-08-09       Impact factor: 3.162
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  86 in total

1.  Protein folding from a highly disordered denatured state: the folding pathway of chymotrypsin inhibitor 2 at atomic resolution.

Authors:  S L Kazmirski; K B Wong; S M Freund; Y J Tan; A R Fersht; V Daggett
Journal:  Proc Natl Acad Sci U S A       Date:  2001-03-27       Impact factor: 11.205

2.  Ultrafast folding of WW domains without structured aromatic clusters in the denatured state.

Authors:  N Ferguson; C M Johnson; M Macias; H Oschkinat; A Fersht
Journal:  Proc Natl Acad Sci U S A       Date:  2001-10-30       Impact factor: 11.205

3.  Protein folding taking shape. Workshop on molecular chaperones.

Authors:  A L Horwich; W A Fenton; T A Rapoport
Journal:  EMBO Rep       Date:  2001-12       Impact factor: 8.807

4.  Dynamic chemical devices: modulation of contraction/extension molecular motion by coupled-ion binding/pH change-induced structural switching.

Authors:  Mihail Barboiu; Jean-Marie Lehn
Journal:  Proc Natl Acad Sci U S A       Date:  2002-04-09       Impact factor: 11.205

5.  On the simulation of protein folding by short time scale molecular dynamics and distributed computing.

Authors:  Alan R Fersht
Journal:  Proc Natl Acad Sci U S A       Date:  2002-10-18       Impact factor: 11.205

6.  Folding a protein in a computer: an atomic description of the folding/unfolding of protein A.

Authors:  Angel E García; José N Onuchic
Journal:  Proc Natl Acad Sci U S A       Date:  2003-11-17       Impact factor: 11.205

7.  Effect of external stresses on protein conformation: a computer modelling study.

Authors:  A Budi; S Legge; H Treutlein; I Yarovsky
Journal:  Eur Biophys J       Date:  2003-10-23       Impact factor: 1.733

8.  Meeting halfway on the bridge between protein folding theory and experiment.

Authors:  Vijay S Pande
Journal:  Proc Natl Acad Sci U S A       Date:  2003-03-25       Impact factor: 11.205

9.  Ultrafast folding of alpha3D: a de novo designed three-helix bundle protein.

Authors:  Yongjin Zhu; Darwin O V Alonso; Kosuke Maki; Cheng-Yen Huang; Steven J Lahr; Valerie Daggett; Heinrich Roder; William F DeGrado; Feng Gai
Journal:  Proc Natl Acad Sci U S A       Date:  2003-12-11       Impact factor: 11.205

10.  Rapid amyloid fiber formation from the fast-folding WW domain FBP28.

Authors:  Neil Ferguson; John Berriman; Miriana Petrovich; Timothy D Sharpe; John T Finch; Alan R Fersht
Journal:  Proc Natl Acad Sci U S A       Date:  2003-08-01       Impact factor: 11.205
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