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Variants of the Acy...
Variants of the Acyltransferase from Mycobacterium smegmatis Enable Enantioselective Acyl Transfer in Water
- Article/chapterEnglish2020
Publisher, publication year, extent ...
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2020-08-17
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American Chemical Society (ACS),2020
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printrdacarrier
Numbers
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LIBRIS-ID:oai:DiVA.org:su-187324
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https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-187324URI
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https://doi.org/10.1021/acscatal.0c02981DOI
Supplementary language notes
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Language:English
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Summary in:English
Part of subdatabase
Classification
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Subject category:ref swepub-contenttype
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Subject category:art swepub-publicationtype
Notes
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The acyltransferase from Mycobacterium smegmatis (MsAcT) complements the well-established acylation activity of hydrolases in organic solvents with its activity to perform acylation reactions (among other reactions) in an aqueous environment. The enzyme’s potential is however limited, due to its poor regio- and stereoselectivity with enantioselectivities (E-values) below 20 for bulky (aromatic) substrates. By applying computer-guided rational design, a library of single variants was designed that allowed conversion of a set of previously challenging substrates with good activity and E-values up to >200. The computational predictions were found to be in agreement with experimental data, which in turn allowed for the generation of even more active and selective double variants. Overall, the produced set of variants provides a toolbox for the enantioselective acylation of challenging alcohols in water, effectively contributing to an alternative to reactions in organic solvents.
Subject headings and genre
Added entries (persons, corporate bodies, meetings, titles ...)
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Kazemi, MasoudStockholms universitet,Institutionen för organisk kemi(Swepub:su)mkaze
(author)
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Mrkonjić, Valerija
(author)
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Himo, FahmiStockholms universitet,Institutionen för organisk kemi(Swepub:su)himo
(author)
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Winkler, Christoph K.
(author)
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Kroutil, Wolfgang
(author)
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Stockholms universitetInstitutionen för organisk kemi
(creator_code:org_t)
Related titles
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In:ACS Catalysis: American Chemical Society (ACS)10:18, s. 10500-105072155-5435
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