Evidence map›Paper›PMID 33723379›Full record

ArticleNature chemistry2021

Stereoelectronic effects in stabilizing protein-N-glycan interactions revealed by experiment and machine learning.

Maziar S Ardejani, Louis Noodleman, Evan T Powers, Jeffery W Kelly

Abstract read
In one paragraph

Article in Nature chemistry, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.

0numbers the graph read from it
0cells of the map it votes in
11citing 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

11 citing papers in PubMed.

  1. Article
  2. Article
  3. Article
  4. Review
  5. Review
  6. Article
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  9. Article
  10. Review
  11. The glycosylation in SARS-CoV-2 and its receptor ACE2.Signal transduction and targeted therapy · 2021
    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.

Maziar S ArdejaniDepartment of Chemistry, The Scripps Research Institute, La Jolla, CA, USA.ORCID http://orcid.org/0000-0001-7037-9157
Louis NoodlemanDepartment of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, CA, USA.ORCID http://orcid.org/0000-0001-8176-4448
Evan T PowersDepartment of Chemistry, The Scripps Research Institute, La Jolla, CA, USA.
Jeffery W KellyDepartment of Chemistry, The Scripps Research Institute, La Jolla, CA, USA. jkelly@scripps.edu.ORCID http://orcid.org/0000-0001-8943-3395

Funding

UNDERSTANDING B-SHEET STRUCTURE IN AQUEOUS SOLUTIONR01GM051105 · NIGMS · TEXAS A&M UNIVERSITY HEALTH SCIENCE CTR · PI KELLY, JEFFERY W · 1994 to 2019
$5.8M
Quantum Chemistry of Proton Pumping by Cytochrome c OxidasesR01GM100934 · NIGMS · SCRIPPS RESEARCH INSTITUTE, THE · PI NOODLEMAN, LOUIS · 2012 to 2020
$3.1M
NIGMS NIH HHS R01 GM051105NIGMS NIH HHS R01 GM100934
6 · The paper itself

Abstract

The energetics of protein-carbohydrate interactions, central to many life processes, cannot yet be manipulated predictably. This is mostly due to an incomplete quantitative understanding of the enthalpic and entropic basis of these interactions in aqueous solution. Here, we show that stereoelectronic effects contribute to stabilizing protein-N-glycan interactions in the context of a cooperatively folding protein. Double-mutant cycle analyses of the folding data from 52 electronically varied N-glycoproteins demonstrate an enthalpy-entropy compensation depending on the electronics of the interacting side chains. Linear and nonlinear models obtained using quantum mechanical calculations and machine learning explain up to 79% and 97% of the experimental interaction energy variability, as inferred from the R

Indexed as

ThermodynamicsHumansMachine LearningProtein FoldingProteinsProteins

Identifiers

PMID33723379
PMCPMC8102341

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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.