3 years ago

Computational insights into active site shaping for substrate specificity and reaction regioselectivity in the EXTL2 retaining glycosyltransferase

Computational insights into active site shaping for substrate specificity and reaction regioselectivity in the EXTL2 retaining glycosyltransferase
Fernanda Mendoza, Jose M. Lluch, Laura Masgrau
QM(DFT)/MM calculations and molecular dynamics simulations on wild-type retaining [small alpha]1,4-N-acetylhexosaminyltransferase (EXTL2) and Arg293Ala, Asp246Ala, Arg293Ala/Asp246Ala and Asp246Glu mutants are used to understand the role of these two residues.

Publisher URL: http://feeds.rsc.org/~r/rss/OB/~3/qBjVazUAHvM/C7OB01937H

DOI: 2017/OB/C7OB01937H

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