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Identification of residues in human melatonin type 2 receptor involved in signaling selectivity or general signal transmission using natural variants

2018· article· en· W3171407382 on OpenAlexafffundabout
Bianca Plouffe, Angeliki Karamitri, Tilman Flock, Jonathan Gallion, Amélie Bonnefond, Jean‐Luc Guillaume, Christian Le Gouill, Philippe Froguel, Olivier Lichtarge, Xavier Deupí, Ralf Jockers, Michel Bouvier

Bibliographic record

VenueThe FASEB Journal · 2018
Typearticle
Languageen
FieldNeuroscience
TopicCircadian rhythm and melatonin
Canadian institutionsUniversité de Montréal
FundersFonds de Recherche du Québec - SantéDefense Advanced Research Projects AgencyNational Institutes of HealthNational Science Foundation
KeywordsProtein Data Bank (RCSB PDB)ReceptorSignal transductionIntracellularG protein-coupled receptorMelatoninBiologyPhosphorylationHomology modelingGeneMelatonin receptorTransmembrane domainCell biologyComputational biologyBinding siteBiochemistryEndocrinologyEnzyme

Abstract

fetched live from OpenAlex

Melatonin is a neurohormone secreted by the pineal gland mainly regulating circadian rhythm and binding to 2 receptors: MT 1 and MT 2 . A recent genome‐wide association studies revealed 40 non‐synonymous polymorphisms of MT 2 . All these variants are normally expressed at cell surface and 4 of them show loss of melatonin binding. Given that no crystal structure is available yet for MT 2 and that variants are well distributed along MT 2 , we took advantage of these natural variants to delineate structural features controlling MT 2 functionality. By monitoring β‐arrestin 2 recruitment, ERK phosphorylation, inhibition of cAMP production, Gα i1 and Gα z activation, we generated 40 signaling signatures and similar profiles were grouped together using non‐negative matrix factorization (NMF). A total of 8 different types of signatures (clusters) were obtained. Each cluster has unique signaling features and is distinctly spatially localized along MT 2 . While residues important for general signal transmission are located in transmembrane regions, the residues responsible for signal selectivity are almost exclusively localized in intracellular domains. Using computational homology modeling (PDB ID: 4Zwj and 3sn6), we proposed molecular mechanisms underlying general signal transmission but also Gα/β‐arrestin and Gα z /Gα i1 selectivities. Altogether, our findings represent a proof of principle that natural variants of a given receptor can be exploited and used as a platform to learn more about its structural properties. Support or Funding Information This work was supported by a grant from FRQS to MB, from FRM and ANR to RJ and from NIH, NSF and DARPA to OL. Postdoctoral fellowships from CIHR and from Diabetes Canada to BP, from FRM to AK and from ETH Zurich to TF also funded this work. This abstract is from the Experimental Biology 2018 Meeting. There is no full text article associated with this abstract published in The FASEB Journal .

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.001
Threshold uncertainty score0.004

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.001
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.047
GPT teacher head0.304
Teacher spread0.257 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations0
Published2018
Admission routes3
Has abstractyes

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