Evidence map›Paper›PMID 30530700›Full record

ArticleProceedings of the National Academy of Sciences of the United States of America2018

Eigenvector centrality for characterization of protein allosteric pathways.

Christian F A Negre, Uriel N Morzan, Heidi P Hendrickson, Rhitankar Pal, George P Lisi, J Patrick Loria, Ivan Rivalta, Junming Ho, Victor S Batista

Open access · greenAbstract read
In one paragraph

Article in Proceedings of the National Academy of Sciences of the United States of America, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 93 papers, 1 of them a synthesis that pooled it.

0numbers the graph read from it
0cells of the map it votes in
93citing papers in PubMed, 1 pooled it
8.9field-weighted citation impact, top 1% 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

93 citing papers in PubMed, 1 synthesis or guideline pooled it, 257 citations in OpenAlex.

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  19. Social context restructures behavioral syntax in mice.Frontiers in behavioral neuroscience · 2025
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33 more citing papers are in PubMed but not listed here.

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

9 authors at 6 institutions in 4 countries.

Christian F A NegreTheoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545; uriel.morzan@yale.edu cnegre@lanl.gov ivan.rivalta@ens-lyon.fr victor.batista@yale.edu.ORCID 0000-0001-5720-0255
Uriel N MorzanDepartment of Chemistry, Yale University, New Haven, CT 06520-8107; uriel.morzan@yale.edu cnegre@lanl.gov ivan.rivalta@ens-lyon.fr victor.batista@yale.edu.
Heidi P HendricksonDepartment of Chemistry, Yale University, New Haven, CT 06520-8107.
Rhitankar PalDepartment of Chemistry, Yale University, New Haven, CT 06520-8107.
George P LisiDepartment of Chemistry, Yale University, New Haven, CT 06520-8107.
J Patrick LoriaDepartment of Chemistry, Yale University, New Haven, CT 06520-8107.
Ivan RivaltaUniversité de Lyon, École Normale Supérieure de Lyon, CNRS, Université Claude Bernard Lyon 1, Laboratoire de Chimie UMR 5182, Lyon, France; uriel.morzan@yale.edu cnegre@lanl.gov ivan.rivalta@ens-lyon.fr victor.batista@yale.edu.
Junming HoSchool of Chemistry, University of New South Wales, Sydney NSW 2052, Australia.
Victor S BatistaDepartment of Chemistry, Yale University, New Haven, CT 06520-8107; uriel.morzan@yale.edu cnegre@lanl.gov ivan.rivalta@ens-lyon.fr victor.batista@yale.edu.ORCID 0000-0002-3262-1237
Yale University · USBrown University · USLafayette College · USLos Alamos National Laboratory · USUniversité Claude Bernard Lyon 1 · FRUNSW Sydney · AU

Funding

Computational and Biochemical Studies of Temperature Effects on Allostery in the Imidazole Glycerol Phosphate Synthase (IGPS) from T. maritimaR01GM106121 · NIGMS · YALE UNIVERSITY · PI BATISTA, VICTOR S, LORIA, JOSEPH P · 2014 to 2021
$2.3M
NIGMS NIH HHS R01 GM106121
6 · The paper itself

Abstract

Determining the principal energy-transfer pathways responsible for allosteric communication in biomolecules remains challenging, partially due to the intrinsic complexity of the systems and the lack of effective characterization methods. In this work, we introduce the eigenvector centrality metric based on mutual information to elucidate allosteric mechanisms that regulate enzymatic activity. Moreover, we propose a strategy to characterize the range of correlations that underlie the allosteric processes. We use the V-type allosteric enzyme imidazole glycerol phosphate synthase (IGPS) to test the proposed methodology. The eigenvector centrality method identifies key amino acid residues of IGPS with high susceptibility to effector binding. The findings are validated by solution NMR measurements yielding important biological insights, including direct experimental evidence for interdomain motion, the central role played by helix h[Formula: see text], and the short-range nature of correlations responsible for the allosteric mechanism. Beyond insights on IGPS allosteric pathways and the nature of residues that could be targeted by therapeutic drugs or site-directed mutagenesis, the reported findings demonstrate the eigenvector centrality analysis as a general cost-effective methodology to gain fundamental understanding of allosteric mechanisms at the molecular level.

Indexed as

Allosteric RegulationAllosteric SiteAminohydrolasesBacterial ProteinsModels, MolecularModels, TheoreticalProtein BindingProtein ConformationAminohydrolasesBacterial Proteinsimidazole glycerol phosphate synthaseallosteryeigenvector centralitygraph theoryIGPSinformation theory

Identifiers

PMID30530700
PMCPMC6310864
OpenAlexW2905107300

What OpenQuestion holds

Textmetadata
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.