Evidence map›Paper›PMID 37308712›Full record

ArticleNature chemistry2023

Transient water wires mediate selective proton transport in designed channel proteins.

Huong T Kratochvil, Laura C Watkins, Marco Mravic, Jessica L Thomaston, John M Nicoludis, Noah H Somberg, Lijun Liu, Mei Hong, Gregory A Voth, William F DeGrado

Abstract read
In one paragraph

Article in Nature chemistry, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 35 papers.

0numbers the graph read from it
0cells of the map it votes in
35citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

35 citing papers in PubMed.

  1. Article
  2. Article
  3. Article
  4. Article
  5. Article
  6. bioRxiv : the preprint server for biology · 2026
    Article
  7. Cavity acidification limits ferritin iron biomineralization.Journal of inorganic biochemistry · 2026
    Article
  8. Article
  9. Article
  10. Article
  11. Article
  12. Article
  13. Article
  14. Interactions of Arachidonic Acid with AAC1 and UCP1.International journal of molecular sciences · 2025
    Article
  15. Biopolymer Membranes for Osmotic Power Generation in Bionic Applications.Advanced materials (Deerfield Beach, Fla.) · 2025
    Review
  16. Research Progress onBiology · 2025
    Review
  17. HInternational journal of molecular sciences · 2025
    Review
  18. Article
  19. Article
  20. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

10 authors.

Huong T KratochvilDepartment of Pharmaceutical Chemistry, University of California-San Francisco, San Francisco, CA, USA. huong.kratochvil@unc.edu.ORCID http://orcid.org/0000-0001-8039-6823
Laura C WatkinsDepartment of Chemistry, Chicago Center for Theoretical Chemistry, Institute for Biophysical Dynamics and James Franck Institute, The University of Chicago, Chicago, IL, USA.ORCID http://orcid.org/0000-0003-2357-7788
Marco MravicDepartment of Pharmaceutical Chemistry, University of California-San Francisco, San Francisco, CA, USA.
Jessica L ThomastonDepartment of Pharmaceutical Chemistry, University of California-San Francisco, San Francisco, CA, USA.
John M NicoludisDepartment of Pharmaceutical Chemistry, University of California-San Francisco, San Francisco, CA, USA.ORCID http://orcid.org/0000-0002-3755-7844
Noah H SombergDepartment of Chemistry, Massachusetts Institute of Technology, Cambridge, MA, USA.ORCID http://orcid.org/0000-0002-5222-0334
Lijun LiuDLX Scientific, Lawrence, KS, USA.ORCID http://orcid.org/0000-0003-0514-281X
Mei HongDepartment of Chemistry, Massachusetts Institute of Technology, Cambridge, MA, USA.ORCID http://orcid.org/0000-0001-5255-5858
Gregory A VothDepartment of Chemistry, Chicago Center for Theoretical Chemistry, Institute for Biophysical Dynamics and James Franck Institute, The University of Chicago, Chicago, IL, USA. gavoth@uchicago.edu.ORCID http://orcid.org/0000-0002-3267-6748
William F DeGradoDepartment of Pharmaceutical Chemistry, University of California-San Francisco, San Francisco, CA, USA. william.degrado@ucsf.edu.ORCID http://orcid.org/0000-0003-4745-263X

Funding

User Training & OutreachP30GM138396 · NIGMS · UCHICAGO ARGONNE, LLC · PI JANET L. SMITH · 2020 to 2026
$34.3M
User Training and OutreachP30GM124169 · NIGMS · UNIVERSITY OF CALIF-LAWRENC BERKELEY LAB · PI PAUL David ADAMS, Gregory L Hura · 2017 to 2026
$28.6M
MOLECULAR AND CELLULAR BASIS OF CARDIOVASCULAR DISEASET32HL007731 · NHLBI · UNIVERSITY OF CALIFORNIA, SAN FRANCISCO · PI Brian L Black · 1992 to 2026
$12.4M
Deciphering the relationship between structure, dynamics and function in helical bundle proteinsR35GM122603 · NIGMS · UNIVERSITY OF CALIFORNIA, SAN FRANCISCO · PI WILLIAM DEGRADO · 2017 to 2026
$7.1M
SIMULATIONS OF PROTON TRANSLOCATION IN BIOMOLECULESR01GM053148 · NIGMS · UNIVERSITY OF UTAH · PI VOTH, GREGORY A. · 1996 to 2021
$5.3M
Structures and Dynamics of Proton and Cation-Dependent Channels and TransportersR01GM088204 · NIGMS · MASSACHUSETTS INSTITUTE OF TECHNOLOGY · PI HONG, MEI · 2009 to 2024
$4.8M
Eliminating Critical Systematic Errors In Structural Biology With Next-Generation SimulationR01GM124149 · NIGMS · UNIVERSITY OF CALIFORNIA, SAN FRANCISCO · PI HOLTON, JAMES M · 2017 to 2024
$2.5M
High-Speed High-Sensitivity Detector for X-ray Micro-Crystallography at GM/CA@APSS10OD012289 · OD · UNIVERSITY OF CHICAGO · PI FISCHETTI, ROBERT F. · 2014 to 2014
$2.0M
Molecular Biophysics Training GrantT32GM149436 · NIGMS · UNIVERSITY OF CALIFORNIA, SAN FRANCISCO · PI Aashish Manglik · 2023 to 2026
$1.6M
Proton Conduction Pathways in Proton Channel ProteinsK99GM138753 · NIGMS · UNIVERSITY OF CALIFORNIA, SAN FRANCISCO · PI KRATOCHVIL, HUONG TRAN · 2020 to 2021
$194k
NHLBI NIH HHS T32 HL007731NIGMS NIH HHS F32 GM133085NIGMS NIH HHS K99 GM138753NIGMS NIH HHS P30 GM124169NIGMS NIH HHS P30 GM138396NIGMS NIH HHS R01 GM053148NIGMS NIH HHS R01 GM088204NIGMS NIH HHS R01 GM124149NIGMS NIH HHS R35 GM122603NIGMS NIH HHS T32 GM149436NIH HHS S10 OD012289
6 · The paper itself

Abstract

Selective proton transport through proteins is essential for forming and using proton gradients in cells. Protons are conducted along hydrogen-bonded 'wires' of water molecules and polar side chains, which, somewhat surprisingly, are often interrupted by dry apolar stretches in the conduction pathways, inferred from static protein structures. Here we hypothesize that protons are conducted through such dry spots by forming transient water wires, often highly correlated with the presence of the excess protons in the water wire. To test this hypothesis, we performed molecular dynamics simulations to design transmembrane channels with stable water pockets interspersed by apolar segments capable of forming flickering water wires. The minimalist designed channels conduct protons at rates similar to viral proton channels, and they are at least 10

Indexed as

ProtonsWaterHydrogenMolecular Dynamics SimulationProteinsHydrogenProteinsProtonsWater

Identifiers

PMID37308712
PMCPMC10475958

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.