The Lewis acid-catalyzed Friedel-Crafts alkylation of an aromatic ring with an alkyl halide is extensively {used|utilized|employed|utilised|applied|made use of} inorganic synthesis. {However|Nevertheless|Nonetheless|Even so|On the other hand|Having said that}, its biological counterpart was not reported {until|till} the elucidation {of the|from the|in the|on the|with the|of your} cylindrocyclophane biosynthetic pathway in Cylindrospermum licheniforme ATCC 29412 by Balskus and co-workers. CylK {is the|will be the|may be the|would be the|could be the|is definitely the} {key|important|crucial|essential} enzyme to catalyze the formation {of the|from the|in the|on the|with the|of your} cylindrocyclophane scaffold {through|via|by means of|by way of} the Friedel-Crafts alkylation reactions with regioselectivity and stereospecificity. {Further|Additional} {research|study|analysis|investigation} demonstrates that CylK can accept other resorcinol rings and secondary alkyl halides as substrates. To date, thecrystal structure of CylK has not been disclosed {and the|and also the|as well as the|along with the|plus the} catalytic mechanism remains obscure. Herein we report the crystal structures of CylK in its apo {form|type|kind} and its complexes {with the|using the|with all the|together with the} analogues of its substrate and reaction intermediate. Combining the crystal structures, {free|totally free|free of charge|cost-free|absolutely free|no cost} {energy|power} simulations {and the|and also the|as well as the|along with the|plus the} mutagenesis experiments, we proposed a concerted double-activation mechanism, which could {explain|clarify} the regioselectivity and stereospecificity. This {work|function|perform|operate} {provides|offers|gives|supplies|delivers} a foundation for engineering CylK as a biocatalyst to expand its substrate scope and applications in organic synthesis. Price of 2,5-Dihydroxyterephthalic acid Ethyl 3-nitroacrylate Formula PMID:23577779
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