A Model for the Crystal Structure of the Human Methylenetetrahydrofolate Reductase Enzyme
Bibliographic record
Abstract
Backgrounds: The enzyme known as eukaryotic methylenetetrahydrofolate reductase (MTHFR) andconsists of 656 amino acids, has a homodimer structure. Each units of this enzyme consists of catalytic andregulator areas. For the catalytic activity of this enzyme, FAD must be connected with MTHFR bynoncovalent bonds. The gene of human MTHFR enzyme is localized at chromosome 1p36.3. A C>Ttransition at nucleotide position 677 is located in the fourth exon of the MTHFR gene which results theconversion of alanine to valine at codon 222 of the protein. We aimed to form a model about the crystal structure of MTHFR because of there is no study about the crystal structure of the protein that put forth. Inaddition, we aimed to put forth the changes in the crystal structure of MTHFR by Ala222Val change as aresult of MTHFR 677C>Tpolymorphism.Methods: To this end, we used MOE computer programme as molecular modeling techniques (version2013.0801, Chemical Computing Group Inc., Montreal, Canada).Results: We saw that the bonds between MTHFR enzyme in human and FAD are over the amino acids Tyr50,Gly108, Asp109, Tyr149, Arg107, Ala127, Lys169 Tyr126, His153 and His165 and the double bondbetween Tyr126 and His165 may be because of the compression feature.Conclusions: Consequently, a model has set forth about the crystal structure of MTHFR in human andbecause of the Ala222val changes affect the status of the FAD binding, to influence the enzyme activity wasdetermined.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot 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.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.001 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.002 | 0.002 |
| Open science | 0.002 | 0.001 |
| Research integrity | 0.003 | 0.002 |
| Insufficient payload (model declined to judge) | 0.028 | 0.004 |
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.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
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".