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

doi:10.1002/jcc.26093

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

Authors:

Wang, Zhi ^[1]; Swanson, Jessica M. J. ^[1];

^[1]

Department of Chemistry, James Franck Institute and Institute for Biophysical DynamicsThe University of Chicago Chicago Illinois

Publication Date:: 2019-10-21

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 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.

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                    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.

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                    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.

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@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}

}

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DOI: 10.1002/jcc.26093

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Works referenced in this record:

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

Dutzler, Raimund
FEBS Letters, Vol. 581, Issue 15
DOI: 10.1016/j.febslet.2007.04.016

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

Accardi, Alessio; Miller, Christopher
Nature, Vol. 427, Issue 6977
DOI: 10.1038/nature02314

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

Chen, Tsung-Yu
Annual Review of Physiology, Vol. 67, Issue 1
DOI: 10.1146/annurev.physiol.67.032003.153012

Secondary Water Pore Formation for Proton Transport in a ClC Exchanger Revealed by an Atomistic Molecular-Dynamics Simulation
journal, May 2010

Ko, Youn Jo; Jo, Won Ho
Biophysical Journal, Vol. 98, Issue 10
DOI: 10.1016/j.bpj.2010.01.043

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

Plimpton, Steve
Journal of Computational Physics, Vol. 117, Issue 1
DOI: 10.1006/jcph.1995.1039

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

Jentsch, Thomas J.
Critical Reviews in Biochemistry and Molecular Biology, Vol. 43, Issue 1
DOI: 10.1080/10409230701829110

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

Dutzler, R.
Science, Vol. 300, Issue 5616
DOI: 10.1126/science.1082708

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

Pusch, Michael
Biochemistry, Vol. 43, Issue 5
DOI: 10.1021/bi0359776

Intra-renal and subcellular distribution of the human chloride channel, CLC-5, reveals a pathophysiological basis for Dent's disease
journal, February 1999

Devuyst, O.
Human Molecular Genetics, Vol. 8, Issue 2
DOI: 10.1093/hmg/8.2.247

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

Abraham, Mark James; Murtola, Teemu; Schulz, Roland
SoftwareX, Vol. 1-2
DOI: 10.1016/j.softx.2015.06.001

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

Nguitragool, Wang; Miller, Christopher
Journal of Molecular Biology, Vol. 362, Issue 4
DOI: 10.1016/j.jmb.2006.07.006

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

Khantwal, Chandra M.; Abraham, Sherwin J.; Han, Wei
eLife, Vol. 5
DOI: 10.7554/eLife.11189

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

Lim, Hyun-Ho; Shane, Tania; Miller, Christopher
PLoS Biology, Vol. 10, Issue 12
DOI: 10.1371/journal.pbio.1001441

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

Yen, Jin Y.
Management Science, Vol. 17, Issue 11
DOI: 10.1287/mnsc.17.11.712

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

Wang, Dong; Voth, Gregory A.
Biophysical Journal, Vol. 97, Issue 1
DOI: 10.1016/j.bpj.2009.04.038

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

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

Citation Formats

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

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

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

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

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

Structure and Function of clc Channels journal, March 2005

Secondary Water Pore Formation for Proton Transport in a ClC Exchanger Revealed by an Atomistic Molecular-Dynamics Simulation journal, May 2010

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

Elevating the alternating-access model journal, March 2016

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

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

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

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

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

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

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

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

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

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

Intra-renal and subcellular distribution of the human chloride channel, CLC-5, reveals a pathophysiological basis for Dent's disease journal, February 1999

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

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

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

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

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

Computationally Efficient Multiconfigurational Reactive Molecular Dynamics journal, September 2012

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Structure and Function of clc Channels
journal, March 2005

Secondary Water Pore Formation for Proton Transport in a ClC Exchanger Revealed by an Atomistic Molecular-Dynamics Simulation
journal, May 2010

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

Elevating the alternating-access model
journal, March 2016

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

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

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

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

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

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

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

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

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

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

Intra-renal and subcellular distribution of the human chloride channel, CLC-5, reveals a pathophysiological basis for Dent's disease
journal, February 1999

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

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

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

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

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

Computationally Efficient Multiconfigurational Reactive Molecular Dynamics
journal, September 2012

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

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

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

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

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

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

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

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