Abstract 2246 Nitrogenase: Beyond the Resting State
Bibliographic record
Abstract
The enzyme nitrogenase has the remarkable ability to catalyze the reduction of dinitrogen to ammonia to under physiological conditions. The mechanistic questions related to how nitrogenase overcomes the kinetic stability of the NN triple bond to fix dinitrogen under ambient conditions have intrigued chemists for the past century. We have applied a structure-based approach to examine how nitrogenase uses iron-sulfur metalloclusters and ATP-dependent electron transfer to reduce dinitrogen and other substrates. A puzzling feature of the nitrogenase mechanism has been how to reconcile the relative stability of the FeMo-cofactor with the reactivity towards dinitrogen. Our studies have established that binding of ligands to nitrogenase under turnover conditions can be accompanied by the reversible displacement and rearrangements of sulfurs in the catalytic FeMo-cofactor; these rearrangements may provide clues how the active site is activated during the catalytic cycle. The complementary strengths of X-ray and electron scattering are being used to illuminate the structural foundations of this process. We gratefully acknowledge support from the Howard Hughes Medical Institute (DCR), NIH GM143836 (RAW), NSERC postdoctoral fellowship (LMZ) and the Caltech Beckman Institute for the Molecular Observatory (JTK) and cryo-EM facilities.
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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 | 0.001 | 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 | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.002 |
| Insufficient payload (model declined to judge) | 0.002 | 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".