skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

This content will become publicly available on October 20, 2020

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 DynamicsThe University of Chicago Chicago Illinois
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1571305
Grant/Contract Number:  
1S10OD018495‐01
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Computational Chemistry
Additional Journal Information:
Journal Name: Journal of Computational Chemistry; 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. doi: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. doi: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 = ,
volume = ,
place = {United States},
year = {2019},
month = {10}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on October 20, 2020
Publisher's Version of Record

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

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