Crystallization and preliminary structural studies of an aldo-keto reductase from opium poppy
Bibliographic record
Abstract
Plants are still the source of many widely used pharmaceuticals produced via a plethora of specialized metabolic pathways. Benzylisoquinoline alkaloids (BIA) are a large and diverse group of pharmacologically active compounds found in a variety of plants, including the opium poppy. Among the most important BIAs are morphine and its immediate biosynthetic precursor codeine. In plants, codeine is reduced from codeinone by the enzyme codeinone reductase (COR). However, COR also catalyzes alternative reactions that yield unwanted compounds, such as neopine. These unwanted compounds are a problem in recent attempts at establishing fermentation-based production systems in yeast and bacteria. To understand the molecular structural mechanisms responsible for substrate recognition, and to inform protein engineering efforts to minimalize unwanted alternate reactions, we have crystallized COR and measured diffraction data to 2.7 resolution. The symmetry in the diffraction pattern and systematic absences suggest that the space group is most likely either P6 2 22 or P6 4 22, with unit cell parameters a=b=87.3, c=219.0 . The optimization of crystal quality, cocrystallization of complexes with substrates and substrate analogues/inhibitors, and structure determination using molecular replacement and SAD phasing, are currently in progress.
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.001 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 0.000 |
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.
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 teacher head, 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".