Definition of the Acceptor Substrate Binding Specificity in Plant Xyloglucan Endotransglycosylases Using Computational Chemistry.

PttXET16A TmXET6.3 binding free energy calculations glycoside hydrolase family 16 homo- and hetero-transglycosylation reactions molecular docking molecular dynamics simulations

Journal

International journal of molecular sciences
ISSN: 1422-0067
Titre abrégé: Int J Mol Sci
Pays: Switzerland
ID NLM: 101092791

Informations de publication

Date de publication:
05 Oct 2022
Historique:
received: 17 08 2022
revised: 27 09 2022
accepted: 28 09 2022
entrez: 14 10 2022
pubmed: 15 10 2022
medline: 18 10 2022
Statut: epublish

Résumé

Xyloglucan endotransglycosylases (XETs) play key roles in the remodelling and reconstruction of plant cell walls. These enzymes catalyse homo-transglycosylation reactions with xyloglucan-derived donor and acceptor substrates and hetero-transglycosylation reactions with a variety of structurally diverse polysaccharides. In this work, we describe the basis of acceptor substrate binding specificity in non-specific

Identifiants

pubmed: 36233140
pii: ijms231911838
doi: 10.3390/ijms231911838
pmc: PMC9569819
pii:
doi:

Substances chimiques

Polysaccharides 0
Xylans 0
beta-Glucans 0
Xylose A1TA934AKO
Glycosyltransferases EC 2.4.-
xyloglucan endotransglycosylase EC 2.4.1.-
Glucose IY9XDZ35W2
Mannose PHA4727WTP

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Subventions

Organisme : Australian Research Council
ID : DP120100900
Organisme : VEGA
ID : 2/0137/20
Organisme : CEMBAM - Centre for Medical Bio-Additive Manufacturing and Research, supported by the Operational Program of Integrated Infrastructure funded by the European Regional Development Fund
ID : ITMS2014+: 313011V358

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Auteurs

Barbora Stratilová (B)

Institute of Chemistry, Slovak Academy of Sciences, SK-84538 Bratislava, Slovakia.

Eva Stratilová (E)

Institute of Chemistry, Slovak Academy of Sciences, SK-84538 Bratislava, Slovakia.

Maria Hrmova (M)

Jiangsu Collaborative Innovation Centre for Regional Modern Agriculture and Environmental Protection, School of Life Science, Huaiyin Normal University, Huai'an 223300, China.
School of Agriculture, Food and Wine & Waite Research Institute, University of Adelaide, Glen Osmond, SA 5064, Australia.

Stanislav Kozmon (S)

Institute of Chemistry, Slovak Academy of Sciences, SK-84538 Bratislava, Slovakia.
Medical Vision o.z., SK-82108 Bratislava, Slovakia.

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Classifications MeSH