Toward a consistent mechanism for diol dehydratase catalyzed reactions: an application of the partial-proton-transfer concept
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Trebeck, Katherine; Golding, Bernard; Radom, Leo
Description
Ab initio molecular orbital theory has been used to study the reactions catalyzed by the B12-dependent enzyme diol dehydratase. The calculations show that a pathway involving the 1,2-shift of a hydroxyl group is greatly facilitated by partial proton transfer to the migrating oxygen. These results suggest a conceptually simple mechanism for the rearrangement whose reaction rate is consistent with experiment. The inclusion of a gem-diol intermediate in the proposed pathway is in accordance...[Show more]
Collections | ANU Research Publications |
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Date published: | 1999 |
Type: | Journal article |
URI: | http://hdl.handle.net/1885/93837 |
Source: | Journal of the American Chemical Society |
DOI: | 10.1021/ja990209g |
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01_Trebeck_Toward_a_consistent_mechanism_1999.pdf | 133.59 kB | Adobe PDF | Request a copy |
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