Evidence map›Paper›PMID 39157159›Full record

ArticleJournal of structural biology: X2024

Do selectivity filter carbonyls in K

Nikhil Maroli, Matthew J Ryan, Martin T Zanni, Alexei A Kananenka

Abstract read
In one paragraph

Article in Journal of structural biology: X, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing 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

2 citing papers in PubMed.

  1. Review
  2. Review
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

4 authors.

Nikhil MaroliDepartment of Physics and Astronomy, University of Delaware, Newark, DE 19716, USA.
Matthew J RyanDepartment of Chemistry, University of Wisconsin-Madison, Madison, WI 53706, USA.
Martin T ZanniDepartment of Chemistry, University of Wisconsin-Madison, Madison, WI 53706, USA.
Alexei A KananenkaDepartment of Physics and Astronomy, University of Delaware, Newark, DE 19716, USA.

Funding

A new perspesective on ion conductance and structural dynamics of ion channels using 2D IRR01GM135936 · NIGMS · UNIVERSITY OF WISCONSIN-MADISON · PI ZANNI, MARTIN T · 2020 to 2025
$1.7M
PowerEdge XE8640 GPU cluster for molecular dynamics simulations and machine learning computational vibrational spectroscopy of ion channelsR35GM150963 · NIGMS · UNIVERSITY OF DELAWARE · PI Alexei Kananenka · 2023 to 2026
$1.3M
NIGMS NIH HHS R01 GM135936NIGMS NIH HHS R35 GM150963
6 · The paper itself

Abstract

Molecular dynamics simulations revealed that the carbonyls of the Val residue in the conserved selectivity filter sequence TVGTG of potassium ion channels can flip away from the pore to form hydrogen bonds with the network of water molecules residing behind the selectivity filter. Such a configuration has been proposed to be relevant for C-type inactivation. Experimentally, X-ray crystallography of the KcsA channel admits the possibility that the Val carbonyls can flip, but it cannot decisively confirm the existence of such a configuration. In this study, we combined molecular dynamics simulations and line shape theory to design two-dimensional infrared spectroscopy experiments that can corroborate the existence of the selectivity filter configuration with flipped Val carbonyls. This ability to distinguish between flipped and unflipped carbonyls is based on the varying strength of the electric field inside and outside the pore, which is directly linked to carbonyl stretching frequencies that can be resolved using infrared spectroscopy.

Indexed as

Carbonyl flippingKcsAPotassium channelsSelectivity filterTwo-dimensional infrared spectroscopy

Identifiers

PMID39157159
PMCPMC11328031

What Socratic holds

Textmetadata
LicenceCC BY-NC
Read underepoch 390

Registered trials

None linked

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 Socratic graph.