Evidence map›Paper›PMID 34091964›Full record

ArticleProteins2021

Electrostatics and water occlusion regulate covalently-bound flavin mononucleotide cofactors of Vibrio cholerae respiratory complex NQR.

Soohaeng Yoo Willow, Ming Yuan, Oscar Juárez, David D L Minh

Open access · greenAbstract read
In one paragraph

Article in Proteins, 2021. 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
0.2field-weighted citation impact, top 48% of its field
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, 4 citations in OpenAlex.

  1. Article
  2. 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

4 authors at 1 institution in 1 country.

Soohaeng Yoo WillowDepartment of Chemistry, Illinois Institute of Technology, Chicago, Illinois, USA.
Ming YuanDepartment of Biological Sciences, Illinois Institute of Technology, Chicago, Illinois, USA.ORCID 0000-0001-5295-0129
Oscar JuárezDepartment of Biological Sciences, Illinois Institute of Technology, Chicago, Illinois, USA.ORCID 0000-0002-2915-8413
David D L MinhDepartment of Chemistry, Illinois Institute of Technology, Chicago, Illinois, USA.ORCID 0000-0002-4802-2618
Illinois Institute of Technology · US

Funding

DEVELOPMENT OF A NOVEL CLASS OF ANTIBIOTICS AGAINST VIBRIO CHOLERAE NA+-NQRR01AI151152 · NIAID · ILLINOIS INSTITUTE OF TECHNOLOGY · PI JUAREZ, OSCAR · 2022 to 2025
$2.1M
Entropy for End-Point and FFT-Based Binding Free Energy CalculationsR01GM127712 · NIGMS · ILLINOIS INSTITUTE OF TECHNOLOGY · PI MINH, DAVID DO LE · 2018 to 2021
$1.3M
Role of flavin radicals and one-electron transitions in the ion pumping mechanism of the bacterial respiratory complex Na+-NQRR15GM131292 · NIGMS · ILLINOIS INSTITUTE OF TECHNOLOGY · PI JUAREZ, OSCAR · 2019 to 2019
$428k
NIAID NIH HHS R01 AI151152NIGMS NIH HHS R01 GM127712NIGMS NIH HHS R15 GM131292
6 · The paper itself

Abstract

Proteins like NADH:ubiquinone oxidoreductase (NQR), an essential enzyme and ion pump in the physiology of several pathogenic bacteria, tightly regulate the redox properties of their cofactors. Although flavin mononucleotide (FMN) is fully reduced in aqueous solution, FMN in subunits B and C of NQR exclusively undergo one-electron transitions during its catalytic cycle. Here, we perform ab initio calculations and molecular dynamics simulations to elucidate the mechanisms that regulate the redox state of FMN in NQR. QM/MM calculations show that binding site electrostatics disfavor anionic forms of FMNH

Indexed as

Bacterial ProteinsFlavin MononucleotideOxidation-ReductionOxidoreductasesVibrio choleraeBacterial ProteinsFlavin MononucleotideOxidoreductasesanionic radicalselectron transferflavinflavin mononucleotideNQRprotonationsemiquinone radical

Identifiers

PMID34091964
PMCPMC8419087
OpenAlexW3167232781

What OpenQuestion holds

Textmetadata
LicenceTDM
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 OpenQuestion graph.