Comparative molecular dynamics simulations identify a salt-sensitive loop responsible for the halotolerant activity of GH5 cellulases.

Cellulases / chemistry Molecular Dynamics Simulation Cellulase / chemistry Catalytic Domain Sodium Chloride
Cellulase MD simulations biomass enzyme engineering halotolerant catalysis

Journal

Journal of biomolecular structure & dynamics
ISSN: 1538-0254
Titre abrégé: J Biomol Struct Dyn
Pays: England
ID NLM: 8404176

Informations de publication

Date de publication:
2022
Historique:
pubmed: 28 5 2021
medline: 15 12 2022
entrez: 27 5 2021
Statut: ppublish

Résumé

Halotolerant glycoside hydrolases (GH) have broad application potentials in biorefinery industries. Elucidating the structure-activity relationship underlying the halotolerant catalysis is essential to design superior biocatalysts. Here, we performed molecular dynamics simulations to investigate the structural dynamics of two GH5 cellulases, namely the halotolerant Cel5R and non-halotolerant

Identifiants

DOI: 10.1080/07391102.2021.1930167 PMID: 34043936
pubmed: 34043936
doi: 10.1080/07391102.2021.1930167
doi:

Substances chimiques

Cellulases EC 3.2.1.-
Cellulase EC 3.2.1.4
Sodium Chloride 451W47IQ8X

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

9522-9529

Auteurs

Yuxuan Song (Y)

Taishan College, Shandong University, Qingdao, China.

Xiuyun Wu (X)

State Key Laboratory of Microbial Technology, Shandong University, Qingdao, China.

Yue Zhao (Y)

State Key Laboratory of Microbial Technology, Shandong University, Qingdao, China.

Xukai Jiang (X)

State Key Laboratory of Microbial Technology, Shandong University, Qingdao, China.
National Glycoengineering Research Center, Shandong University, Qingdao, China.

Lushan Wang (L)

State Key Laboratory of Microbial Technology, Shandong University, Qingdao, China.

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Classifications MeSH

questionsmedicales.fr › Enzymes et coenzymes › Enzymes › Hydrolases › Glycosidases › Glucosidases › Cellulases › Comparative molecular dynamics simulations...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de dynamique moléculaire › Comparative molecular dynamics simulations...
questionsmedicales.fr › Enzymes et coenzymes › Enzymes › Hydrolases › Glycosidases › Glucosidases › Cellulases › Cellulase › Comparative molecular dynamics simulations...
questionsmedicales.fr › Phénomènes chimiques › Phénomènes biochimiques › Conformation moléculaire › Conformation des protéines › Éléments structuraux des protéines › Domaine catalytique › Comparative molecular dynamics simulations...
questionsmedicales.fr › Produits chimiques inorganiques › Composés du sodium › Chlorure de sodium › Comparative molecular dynamics simulations...