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Title: Active-site plasticity revealed in the asymmetric dimer of AnPrx6 the 1-Cys peroxiredoxin and molecular chaperone from Anabaena sp. PCC 7120

Abstract

Peroxiredoxins (Prxs) are vital regulators of intracellular reactive oxygen species levels in all living organisms. Their activity depends on one or two catalytically active cysteine residues, the peroxidatic Cys (CP) and, if present, the resolving Cys (CR). A detailed catalytic cycle has been derived for typical 2-Cys Prxs, however, little is known about the catalytic cycle of 1-Cys Prxs. We have characterized Prx6 from the cyanobacterium Anabaena sp. strain PCC7120 (AnPrx6) and found that in addition to the expected peroxidase activity, AnPrx6 can act as a molecular chaperone in its dimeric state, contrary to other Prxs. The AnPrx6 crystal structure at 2.3 Å resolution reveals different active site conformations in each monomer of the asymmetric obligate homo-dimer. Molecular dynamic simulations support the observed structural plasticity. A FSH motif, conserved in 1-Cys Prxs, precedes the active site PxxxTxxCp signature and might contribute to the 1-Cys Prx reaction cycle.

Authors:
 [1];  [2];  [2];  [3];  [4];  [2];  [5];  [6];  [7];  [1];  [8]
+ Show Author Affiliations
  1. Umea Univ. (Sweden). Dept. of Chemistry and Umea Plant Science Center
  2. Umea Univ. (Sweden). Dept. of Chemistry
  3. Umea Univ. (Sweden). Dept. of Chemistry and Computational Life-Science Cluster (CLiC); Univ. of Texas, Arlington, TX (United States). Dept. of Chemistry and Biochemistry
  4. Lund Univ. (Sweden). MAX IV Lab.
  5. North Eastern Hill Univ., Shillong (India). Dept. of Biotechnology and Bioinformatics
  6. Banaras Hindu Univ, Varanasi (India). Molecular Biology Section
  7. Umea Univ. (Sweden). Umea Plant Science Center
  8. Umea Univ. (Sweden). Dept. of Chemistry and Computational Life-Science Cluster (CLiC)
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
Sponsoring Org.:
USDOE
OSTI Identifier:
1490797
Resource Type:
Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 7; Journal Issue: 1; Journal ID: ISSN 2045-2322
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 59 BASIC BIOLOGICAL SCIENCES

Citation Formats

Mishra, Yogesh, Hall, Michael, Locmelis, Roland, Nam, Kwangho, Söderberg, Christopher A. G., Storm, Patrik, Chaurasia, Neha, Rai, Lal Chand, Jansson, Stefan, Schröder, Wolfgang P., and Sauer, Uwe H. Active-site plasticity revealed in the asymmetric dimer of AnPrx6 the 1-Cys peroxiredoxin and molecular chaperone from Anabaena sp. PCC 7120. United States: N. p., 2017. Web. doi:10.1038/s41598-017-17044-3.
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Mishra, Yogesh, Hall, Michael, Locmelis, Roland, Nam, Kwangho, Söderberg, Christopher A. G., Storm, Patrik, Chaurasia, Neha, Rai, Lal Chand, Jansson, Stefan, Schröder, Wolfgang P., & Sauer, Uwe H. Active-site plasticity revealed in the asymmetric dimer of AnPrx6 the 1-Cys peroxiredoxin and molecular chaperone from Anabaena sp. PCC 7120. United States. https://doi.org/10.1038/s41598-017-17044-3
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Mishra, Yogesh, Hall, Michael, Locmelis, Roland, Nam, Kwangho, Söderberg, Christopher A. G., Storm, Patrik, Chaurasia, Neha, Rai, Lal Chand, Jansson, Stefan, Schröder, Wolfgang P., and Sauer, Uwe H. Thu . "Active-site plasticity revealed in the asymmetric dimer of AnPrx6 the 1-Cys peroxiredoxin and molecular chaperone from Anabaena sp. PCC 7120". United States. https://doi.org/10.1038/s41598-017-17044-3. https://www.osti.gov/servlets/purl/1490797.
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@article{osti_1490797,
title = {Active-site plasticity revealed in the asymmetric dimer of AnPrx6 the 1-Cys peroxiredoxin and molecular chaperone from Anabaena sp. PCC 7120},
author = {Mishra, Yogesh and Hall, Michael and Locmelis, Roland and Nam, Kwangho and Söderberg, Christopher A. G. and Storm, Patrik and Chaurasia, Neha and Rai, Lal Chand and Jansson, Stefan and Schröder, Wolfgang P. and Sauer, Uwe H.},
abstractNote = {Peroxiredoxins (Prxs) are vital regulators of intracellular reactive oxygen species levels in all living organisms. Their activity depends on one or two catalytically active cysteine residues, the peroxidatic Cys (CP) and, if present, the resolving Cys (CR). A detailed catalytic cycle has been derived for typical 2-Cys Prxs, however, little is known about the catalytic cycle of 1-Cys Prxs. We have characterized Prx6 from the cyanobacterium Anabaena sp. strain PCC7120 (AnPrx6) and found that in addition to the expected peroxidase activity, AnPrx6 can act as a molecular chaperone in its dimeric state, contrary to other Prxs. The AnPrx6 crystal structure at 2.3 Å resolution reveals different active site conformations in each monomer of the asymmetric obligate homo-dimer. Molecular dynamic simulations support the observed structural plasticity. A FSH motif, conserved in 1-Cys Prxs, precedes the active site PxxxTxxCp signature and might contribute to the 1-Cys Prx reaction cycle.},
doi = {10.1038/s41598-017-17044-3},
journal = {Scientific Reports},
number = 1,
volume = 7,
place = {United States},
year = {Thu Dec 07 00:00:00 EST 2017},
month = {Thu Dec 07 00:00:00 EST 2017}
}
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CHARMM: The biomolecular simulation program
journal, July 2009

  • Brooks, B. R.; Brooks, C. L.; Mackerell, A. D.
  • Journal of Computational Chemistry, Vol. 30, Issue 10
  • DOI: 10.1002/jcc.21287

Oxidative Stress-dependent Structural and Functional Switching of a Human 2-Cys Peroxiredoxin Isotype II That Enhances HeLa Cell Resistance to H 2 O 2 -induced Cell Death
journal, June 2005

  • Moon, Jeong Chan; Hah, Young-Sool; Kim, Woe Yeon
  • Journal of Biological Chemistry, Vol. 280, Issue 31
  • DOI: 10.1074/jbc.M505362200

ICM?A new method for protein modeling and design: Applications to docking and structure prediction from the distorted native conformation
journal, May 1994

  • Abagyan, Ruben; Totrov, Maxim; Kuznetsov, Dmitry
  • Journal of Computational Chemistry, Vol. 15, Issue 5
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Chaperone-like features of bovine serum albumin: a comparison with α-crystallin
journal, November 2005

  • Marini, I.; Moschini, R.; Corso, A. Del
  • Cellular and Molecular Life Sciences, Vol. 62, Issue 24
  • DOI: 10.1007/s00018-005-5397-4

Oxidation of archaeal peroxiredoxin involves a hypervalent sulfur intermediate
journal, April 2008

  • Nakamura, T.; Yamamoto, T.; Abe, M.
  • Proceedings of the National Academy of Sciences, Vol. 105, Issue 17
  • DOI: 10.1073/pnas.0709822105

AhpC (alkyl hydroperoxide reductase) from Anabaena sp. PCC 7120 protects Escherichia coli from multiple abiotic stresses
journal, April 2009

  • Mishra, Yogesh; Chaurasia, Neha; Rai, Lal Chand
  • Biochemical and Biophysical Research Communications, Vol. 381, Issue 4
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Purification and characterization of the chaperone-like Hsp26 from Saccharomyces cerevisiae
journal, June 2006

  • Ferreira, Renato Marins; de Andrade, Leonardo Rodrigues; Dutra, Márcio Barros
  • Protein Expression and Purification, Vol. 47, Issue 2
  • DOI: 10.1016/j.pep.2006.02.006

Peroxiredoxin 1 and its role in cell signaling
journal, December 2009

  • Neumann, Carola A.; Cao, Juxiang; Manevich, Yefim
  • Cell Cycle, Vol. 8, Issue 24
  • DOI: 10.4161/cc.8.24.10242

Fast, scalable generation of high‐quality protein multiple sequence alignments using Clustal Omega
journal, January 2011

  • Sievers, Fabian; Wilm, Andreas; Dineen, David
  • Molecular Systems Biology, Vol. 7, Issue 1
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Deconstructing the Catalytic Efficiency of Peroxiredoxin-5 Peroxidatic Cysteine
journal, September 2014

  • Portillo-Ledesma, Stephanie; Sardi, Florencia; Manta, Bruno
  • Biochemistry, Vol. 53, Issue 38
  • DOI: 10.1021/bi500389m

Characterization of a Mammalian Peroxiredoxin That Contains One Conserved Cysteine
journal, March 1998

  • Kang, Sang Won; Baines, Ivan C.; Rhee, Sue Goo
  • Journal of Biological Chemistry, Vol. 273, Issue 11
  • DOI: 10.1074/jbc.273.11.6303

Hydrogen peroxide production during experimental protein glycation
journal, July 1990

A smooth particle mesh Ewald method
journal, November 1995

  • Essmann, Ulrich; Perera, Lalith; Berkowitz, Max L.
  • The Journal of Chemical Physics, Vol. 103, Issue 19
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The Crystal Structures of the Tryparedoxin-Tryparedoxin Peroxidase Couple Unveil the Structural Determinants of Leishmania Detoxification Pathway
journal, August 2012

Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion
journal, September 2020

All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins †
journal, April 1998

  • MacKerell, A. D.; Bashford, D.; Bellott, M.
  • The Journal of Physical Chemistry B, Vol. 102, Issue 18
  • DOI: 10.1021/jp973084f

Turnover of the photosystem II D1 protein in higher plants under photoinhibitory and nonphotoinhibitory irradiance.
journal, December 1993

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