DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Local conformational dynamics regulating transport properties of a Cl /H + antiporter

Authors:
 [1];  [1]; ORCiD logo [1]
  1. Department of Chemistry, James Franck Institute and Institute for Biophysical Dynamics The University of Chicago Chicago Illinois
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1571305
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Computational Chemistry
Additional Journal Information:
Journal Name: Journal of Computational Chemistry Journal Volume: 41 Journal Issue: 6; Journal ID: ISSN 0192-8651
Publisher:
Wiley Blackwell (John Wiley & Sons)
Country of Publication:
United States
Language:
English

Citation Formats

Wang, Zhi, Swanson, Jessica M. J., and Voth, Gregory A. Local conformational dynamics regulating transport properties of a Cl − /H + antiporter. United States: N. p., 2019. Web. doi:10.1002/jcc.26093.
Wang, Zhi, Swanson, Jessica M. J., & Voth, Gregory A. Local conformational dynamics regulating transport properties of a Cl − /H + antiporter. United States. https://doi.org/10.1002/jcc.26093
Wang, Zhi, Swanson, Jessica M. J., and Voth, Gregory A. Mon . "Local conformational dynamics regulating transport properties of a Cl − /H + antiporter". United States. https://doi.org/10.1002/jcc.26093.
@article{osti_1571305,
title = {Local conformational dynamics regulating transport properties of a Cl − /H + antiporter},
author = {Wang, Zhi and Swanson, Jessica M. J. and Voth, Gregory A.},
abstractNote = {},
doi = {10.1002/jcc.26093},
journal = {Journal of Computational Chemistry},
number = 6,
volume = 41,
place = {United States},
year = {2019},
month = {10}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1002/jcc.26093

Citation Metrics:
Cited by: 1 work
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

A structural perspective on ClC channel and transporter function
journal, April 2007


Intracellular Proton-Transfer Mutants in a CLC Cl /H + Exchanger
journal, January 2009

  • Lim, Hyun-Ho; Miller, Christopher
  • The Journal of General Physiology, Vol. 133, Issue 2
  • DOI: 10.1085/jgp.200810112

Multiscale Simulations Reveal Key Aspects of the Proton Transport Mechanism in the ClC-ec1 Antiporter
journal, March 2016

  • Lee, Sangyun; Swanson, Jessica M. J.; Voth, Gregory A.
  • Biophysical Journal, Vol. 110, Issue 6
  • DOI: 10.1016/j.bpj.2016.02.014

Secondary active transport mediated by a prokaryotic homologue of ClC Cl- channels
journal, February 2004


A provisional transport mechanism for a chloride channel-type Cl /H + exchanger
journal, October 2008

  • Miller, Christopher; Nguitragool, Wang
  • Philosophical Transactions of the Royal Society B: Biological Sciences, Vol. 364, Issue 1514
  • DOI: 10.1098/rstb.2008.0138

Hydrated Excess Protons Can Create Their Own Water Wires
journal, September 2014

  • Peng, Yuxing; Swanson, Jessica M. J.; Kang, Seung-gu
  • The Journal of Physical Chemistry B, Vol. 119, Issue 29
  • DOI: 10.1021/jp5095118

Solving Inverse Problems With Piecewise Linear Estimators: From Gaussian Mixture Models to Structured Sparsity
journal, May 2012

  • Guoshen Yu, ; Sapiro, G.; Mallat, S.
  • IEEE Transactions on Image Processing, Vol. 21, Issue 5
  • DOI: 10.1109/TIP.2011.2176743

Structure and Function of clc Channels
journal, March 2005


Multiscale simulations reveal key features of the proton-pumping mechanism in cytochrome c oxidase
journal, June 2016

  • Liang, Ruibin; Swanson, Jessica M. J.; Peng, Yuxing
  • Proceedings of the National Academy of Sciences, Vol. 113, Issue 27
  • DOI: 10.1073/pnas.1601982113

Elevating the alternating-access model
journal, March 2016

  • Ryan, Renae M.; Vandenberg, Robert J.
  • Nature Structural & Molecular Biology, Vol. 23, Issue 3
  • DOI: 10.1038/nsmb.3179

13C NMR detects conformational change in the 100-kD membrane transporter ClC-ec1
journal, January 2015

  • Abraham, Sherwin J.; Cheng, Ricky C.; Chew, Thomas A.
  • Journal of Biomolecular NMR, Vol. 61, Issue 3-4
  • DOI: 10.1007/s10858-015-9898-7

Structure and gating of CLC channels and exchangers: Structure and gating of CLC channels and exchangers
journal, July 2015

  • Accardi, Alessio
  • The Journal of Physiology, Vol. 593, Issue 18
  • DOI: 10.1113/JP270575

CLC Cl-/H+ transporters constrained by covalent cross-linking
journal, December 2007

  • Nguitragool, W.; Miller, C.
  • Proceedings of the National Academy of Sciences, Vol. 104, Issue 52
  • DOI: 10.1073/pnas.0708639104

Multidimensional replica-exchange method for free-energy calculations
journal, October 2000

  • Sugita, Yuji; Kitao, Akio; Okamoto, Yuko
  • The Journal of Chemical Physics, Vol. 113, Issue 15
  • DOI: 10.1063/1.1308516

Computationally Efficient Multiscale Reactive Molecular Dynamics to Describe Amino Acid Deprotonation in Proteins
journal, January 2016

  • Lee, Sangyun; Liang, Ruibin; Voth, Gregory A.
  • Journal of Chemical Theory and Computation, Vol. 12, Issue 2
  • DOI: 10.1021/acs.jctc.5b01109

The Origin of Coupled Chloride and Proton Transport in a Cl /H + Antiporter
journal, November 2016

  • Lee, Sangyun; Mayes, Heather B.; Swanson, Jessica M. J.
  • Journal of the American Chemical Society, Vol. 138, Issue 45
  • DOI: 10.1021/jacs.6b06683

Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995


CLC Chloride Channels and Transporters: From Genes to Protein Structure, Pathology and Physiology
journal, January 2008


Separate Ion Pathways in a Cl /H + Exchanger
journal, November 2005

  • Accardi, Alessio; Walden, Michael; Nguitragool, Wang
  • The Journal of General Physiology, Vol. 126, Issue 6
  • DOI: 10.1085/jgp.200509417

Molecular cloning of a chloride channel that is regulated by dehydration and expressed predominantly in kidney medulla.
journal, February 1993


Gating the Selectivity Filter in ClC Chloride Channels
journal, March 2003


Design, function and structure of a monomeric ClC transporter
journal, November 2010

  • Robertson, Janice L.; Kolmakova-Partensky, Ludmila; Miller, Christopher
  • Nature, Vol. 468, Issue 7325
  • DOI: 10.1038/nature09556

Structural Insights into Chloride and Proton-Mediated Gating of CLC Chloride Channels
journal, February 2004


Site-Directed Fluorescence Studies of a Prokaryotic ClC Antiporter
journal, June 2006

  • Bell, Susan P.; Curran, Patricia K.; Choi, Sean
  • Biochemistry, Vol. 45, Issue 22
  • DOI: 10.1021/bi0523815

GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
journal, September 2015


Uncoupling of a CLC Cl−/H+ Exchange Transporter by Polyatomic Anions
journal, September 2006


Revealing an outward-facing open conformational state in a CLC Cl–/H+ exchange transporter
journal, January 2016


Intracellular Proton Access in a Cl−/H+ Antiporter
journal, December 2012


X-ray structure of a ClC chloride channel at 3.0 Å reveals the molecular basis of anion selectivity
journal, January 2002

  • Dutzler, Raimund; Campbell, Ernest B.; Cadene, Martine
  • Nature, Vol. 415, Issue 6869
  • DOI: 10.1038/415287a

PLUMED 2: New feathers for an old bird
journal, February 2014

  • Tribello, Gareth A.; Bonomi, Massimiliano; Branduardi, Davide
  • Computer Physics Communications, Vol. 185, Issue 2
  • DOI: 10.1016/j.cpc.2013.09.018

Finding the K Shortest Loopless Paths in a Network
journal, July 1971


Synergistic substrate binding determines the stoichiometry of transport of a prokaryotic H+/Cl− exchanger
journal, April 2012

  • Picollo, Alessandra; Xu, Yanyan; Johner, Niklaus
  • Nature Structural & Molecular Biology, Vol. 19, Issue 5
  • DOI: 10.1038/nsmb.2277

Conformational changes required for H+/Cl− exchange mediated by a CLC transporter
journal, April 2014

  • Basilio, Daniel; Noack, Kristin; Picollo, Alessandra
  • Nature Structural & Molecular Biology, Vol. 21, Issue 5
  • DOI: 10.1038/nsmb.2814

Computationally Efficient Multiconfigurational Reactive Molecular Dynamics
journal, September 2012

  • Yamashita, Takefumi; Peng, Yuxing; Knight, Chris
  • Journal of Chemical Theory and Computation, Vol. 8, Issue 12
  • DOI: 10.1021/ct3006437

Multiscale Kinetic Modeling Reveals an Ensemble of Cl /H + Exchange Pathways in ClC-ec1 Antiporter
journal, January 2018

  • Mayes, Heather B.; Lee, Sangyun; White, Andrew D.
  • Journal of the American Chemical Society, Vol. 140, Issue 5
  • DOI: 10.1021/jacs.7b11463

Basis of substrate binding and conservation of selectivity in the CLC family of channels and transporters
journal, November 2009

  • Picollo, Alessandra; Malvezzi, Mattia; Houtman, Jon C. D.
  • Nature Structural & Molecular Biology, Vol. 16, Issue 12
  • DOI: 10.1038/nsmb.1704

Molecular Basis for Differential Anion Binding and Proton Coupling in the Cl /H + Exchanger ClC-ec1
journal, February 2016

  • Jiang, Tao; Han, Wei; Maduke, Merritt
  • Journal of the American Chemical Society, Vol. 138, Issue 9
  • DOI: 10.1021/jacs.5b12062

Luminescence Properties of Self-Aggregating TbIII-DOTA-Functionalized Calix[4]arenes
journal, January 2018

  • Mayer, Florian; Tiruvadi Krishnan, Sriram; Schühle, Daniel T.
  • Frontiers in Chemistry, Vol. 6
  • DOI: 10.3389/fchem.2018.00001

Modulating the Chemical Transport Properties of a Transmembrane Antiporter via Alternative Anion Flux
journal, November 2018

  • Wang, Zhi; Swanson, Jessica M. J.; Voth, Gregory A.
  • Journal of the American Chemical Society, Vol. 140, Issue 48
  • DOI: 10.1021/jacs.8b07614

Proton Transport Pathway in the ClC Cl−/H+ Antiporter
journal, July 2009


Water access points and hydration pathways in CLC H + /Cl transporters
journal, December 2013

  • Han, Wei; Cheng, Ricky C.; Maduke, Merritt C.
  • Proceedings of the National Academy of Sciences, Vol. 111, Issue 5
  • DOI: 10.1073/pnas.1317890111

Uncoupling and Turnover in a Cl /H + Exchange Transporter
journal, March 2007

  • Walden, Michael; Accardi, Alessio; Wu, Fang
  • The Journal of General Physiology, Vol. 129, Issue 4
  • DOI: 10.1085/jgp.200709756

Substrate-driven conformational changes in ClC-ec1 observed by fluorine NMR
journal, September 2009

  • Elvington, Shelley M.; Liu, Corey W.; Maduke, Merritt C.
  • The EMBO Journal, Vol. 28, Issue 20
  • DOI: 10.1038/emboj.2009.259