The functional architecture of a cationic pore that modulates citrate synthase quaternary structure and allostery
Bibliographic record
Abstract
The active form of the allosteric Type II citrate synthase of E. coli is a hexamer, having as a large central feature an unusual cationic pore lined with 18 arginines. We have investigated this remarkable concentration of positive charge using a variety of techniques. The importance of the combined repulsive effect of these arginines is evident from the extreme conditions necessary to reestablish a dimer‐hexamer equilibrium with their substitution. Structural studies have determined three repulsive arginine based forces act to destabilize the hexamer state, including: interactions between two arginine rings that encircle the cationic pore; a novel arginine cassette structure formed between dimer units; and, repulsions between arginine side chains at the very center of the pore. Notably, kinetic studies suggest these repulsive pore interactions give the hexameric enzyme the energetic flexibility needed to carry out catalysis. Our results emphasize the finely tuned relationship between the dual dimer ‐ hexamer and R (active) ‐ T (inactive) allosteric equilibria present. Indeed it seems the allosteric NADH binding site is a mechanism designed to fine tune the cationic pore ‐ active site energetic relationship and thereby allow for an equilibrium wherein a T‐state enzyme can be induced without irretrievable inactivation of the enzyme. Supported by the Natural Sciences and Engineering Research Council of Canada.
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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 | 0.000 |
| 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 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 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 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".