Computationally-guided exchange of substrate selectivity motifs in a modular polyketide synthase acyltransferase

Engineering efforts have focused on acyltransferase (AT) domains of modular polyketide synthases (PKSs) to site-selectively modify the resulting polyketides, but critical AT residues involved in substrate selection have not been fully elucidated. Here, the authors use molecular dynamics to pinpoint...

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Main Authors:	Edward Kalkreuter, Kyle S. Bingham, Aaron M. Keeler, Andrew N. Lowell, Jennifer J. Schmidt, David H. Sherman, Gavin J. Williams
Format:	article
Language:	EN
Published:	Nature Portfolio 2021
Subjects:	Science Q
Online Access:	https://doaj.org/article/8ac2f471c63242d2830d7699ac214224
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spelling	oai:doaj.org-article:8ac2f471c63242d2830d7699ac2142242021-12-02T18:03:45ZComputationally-guided exchange of substrate selectivity motifs in a modular polyketide synthase acyltransferase10.1038/s41467-021-22497-22041-1723https://doaj.org/article/8ac2f471c63242d2830d7699ac2142242021-04-01T00:00:00Zhttps://doi.org/10.1038/s41467-021-22497-2https://doaj.org/toc/2041-1723Engineering efforts have focused on acyltransferase (AT) domains of modular polyketide synthases (PKSs) to site-selectively modify the resulting polyketides, but critical AT residues involved in substrate selection have not been fully elucidated. Here, the authors use molecular dynamics to pinpoint mutations that impact AT domain selectivity and exchange structural motifs to obtain chimeric PKS modules with expanded substrate specificity.Edward KalkreuterKyle S. BinghamAaron M. KeelerAndrew N. LowellJennifer J. SchmidtDavid H. ShermanGavin J. WilliamsNature PortfolioarticleScienceQENNature Communications, Vol 12, Iss 1, Pp 1-12 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Edward Kalkreuter Kyle S. Bingham Aaron M. Keeler Andrew N. Lowell Jennifer J. Schmidt David H. Sherman Gavin J. Williams Computationally-guided exchange of substrate selectivity motifs in a modular polyketide synthase acyltransferase
description	Engineering efforts have focused on acyltransferase (AT) domains of modular polyketide synthases (PKSs) to site-selectively modify the resulting polyketides, but critical AT residues involved in substrate selection have not been fully elucidated. Here, the authors use molecular dynamics to pinpoint mutations that impact AT domain selectivity and exchange structural motifs to obtain chimeric PKS modules with expanded substrate specificity.
format	article
author	Edward Kalkreuter Kyle S. Bingham Aaron M. Keeler Andrew N. Lowell Jennifer J. Schmidt David H. Sherman Gavin J. Williams
author_facet	Edward Kalkreuter Kyle S. Bingham Aaron M. Keeler Andrew N. Lowell Jennifer J. Schmidt David H. Sherman Gavin J. Williams
author_sort	Edward Kalkreuter
title	Computationally-guided exchange of substrate selectivity motifs in a modular polyketide synthase acyltransferase
title_short	Computationally-guided exchange of substrate selectivity motifs in a modular polyketide synthase acyltransferase
title_full	Computationally-guided exchange of substrate selectivity motifs in a modular polyketide synthase acyltransferase
title_fullStr	Computationally-guided exchange of substrate selectivity motifs in a modular polyketide synthase acyltransferase
title_full_unstemmed	Computationally-guided exchange of substrate selectivity motifs in a modular polyketide synthase acyltransferase
title_sort	computationally-guided exchange of substrate selectivity motifs in a modular polyketide synthase acyltransferase
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/8ac2f471c63242d2830d7699ac214224
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Computationally-guided exchange of substrate selectivity motifs in a modular polyketide synthase acyltransferase

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