Projects per year
Abstract
A classic example of enzyme stereospecificity is the title reaction involving the enantioselective conversion of fluoroacetyl-CoA. High-level modeling of the enzyme reaction shows that preferential formation of an E-enolate explains the experimentally observed specificity. The results indicate that selectivity is primarily a result of the inherent energy difference between the E- and Z-enolates of fluoroacetyl-CoA.
Translated title of the contribution | “Lethal Synthesis” of Fluorocitrate by Citrate Synthase Explained through QM/MM Modeling |
---|---|
Original language | English |
Pages (from-to) | 10349-10351 |
Number of pages | 3 |
Journal | Angewandte Chemie - International Edition |
Volume | 50 |
Issue number | 44 |
DOIs | |
Publication status | Published - 2011 |
Fingerprint
Dive into the research topics of '"Lethal Synthesis" of Fluorocitrate by Citrate Synthase Explained through QM/MM Modeling'. Together they form a unique fingerprint.Projects
- 1 Finished
-
COMPUTATIONAL BIOCHEMISTRY: PREDICTIVE MODELLING FOR BIOLOGY AND MEDICINE
1/10/08 → 1/04/14
Project: Research