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On the Reaction of Glycerol Dehydratase with But‐3‐ene‐1,2‐diol |
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| Authors: | Gregory M Sandala Dr Borislav Kovačević Dr Danijela Barić Dr David M Smith Dr Leo Radom Prof |
| Institution: | 1. School of Chemistry and ARC Centre of Excellence for Free Radical Chemistry and Biotechnology, University of Sydney, Sydney, NSW 2006 (Australia), Fax: (+61)?2‐9351‐3329;2. Centre for Computational Solutions in the Life Sciences, Ru?er Bo?kovi? Institute, 10002 Zagreb (Croatia), Fax: (+385)?1‐456‐1118 |
| Abstract: | Intriguing inactivation : Calculations suggest that the ability of relatively high‐energy radical intermediates to inactivate glycerol dehydratase (GDH) may reflect a general and hitherto unidentified inactivation mechanism in the reaction of coenzyme B12‐dependent enzymes and 3‐unsaturated 1,2‐diols (see scheme; AdoCbl: adenosylcobalamin or coenzyme B12).  |
| Keywords: | ab initio calculations density functional calculations enzyme inhibitors radicals reaction mechanisms |