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Record W2998524529 · doi:10.1107/s0108767319099422

Crystallographic and kinetic analysis of temperature-variant isozymes

2019· article· en· W2998524529 on OpenAlexaff
Matt McLeod, Todd Holyoak

Bibliographic record

VenueActa Crystallographica Section A Foundations and Advances · 2019
Typearticle
Languageen
FieldMaterials Science
TopicEnzyme Structure and Function
Canadian institutionsUniversity of Waterloo
Fundersnot available
KeywordsIsozymeKinetic energyCrystallographyMaterials scienceChemistryEnzymeBiochemistryPhysics

Abstract

fetched live from OpenAlex

Biological catalysts have evolved to optimally work at a temperature regime at which their host organism thrives. The structural differences between homologous enzymes that work at temperature extremes can further our understanding of the underpinnings of enzyme function. In general, thermophilic enzymes have been described as "less-flexible" at room temperature, where their psychrophilic counterparts are "more flexible". The interplay between temperature, function, and dynamics is a relevant field of interest as it has impact upon the field of protein engineering. Our lab has a large host of structural and kinetic/functional data on our model enzyme, a mesophilic phosphoenolpyruvate carboxykinase (PEPCK), which must undergo a series of conformational changes to work optimally. Specifically, one dynamic element of PEPCK is a lid which transitions approximately 40 (tip-to-tip) to orient and protect substrates during catalysis. This lid is proposed to be sensitive to temperature fluctuations, where at lower temperatures it would become more rigid (closed) and at high temperatures more flexible (open). Both non-optimal conditions would impact its function, highlighting a delicate balance of dynamic motions. We have successfully crystallized a psychrophilic PEPCK which can be used to further investigate its dynamic properties. Structural and kinetic comparison of these variants can show us how an enzyme thermally adapts highly dynamic elements to maintain functional harmony.

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)0.001
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 score0.009
Threshold uncertainty score0.017

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0010.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0020.000

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 head0.005
GPT teacher head0.228
Teacher spread0.223 · 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

Citations1
Published2019
Admission routes1
Has abstractyes

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Same venueActa Crystallographica Section A Foundations and AdvancesSame topicEnzyme Structure and FunctionFrench-language works237,207