PLP-Dependent Enzyme Methionine γ-Lyase: Insights into the Michaelis Complex from Molecular Dynamics and Free Energy Simulations.

Molecular Dynamics Simulation Ligands Schiff Bases Pyridoxal Phosphate Methionine Racemethionine

Journal

Biochemistry
ISSN: 1520-4995
Titre abrégé: Biochemistry
Pays: United States
ID NLM: 0370623

Informations de publication

Date de publication:
19 09 2023
Historique:
medline: 20 9 2023
pubmed: 5 9 2023
entrez: 5 9 2023
Statut: ppublish

Résumé

Methionine γ-lyase (MGL) breaks down methionine, with the help of its cofactor pyridoxal-5'-phosphate (PLP), or vitamin B6. Methionine depletion is damaging for cancer cells but not normal cells, so MGL is of interest as a therapeutic protein. To increase our understanding and help engineer improved activity, we focused on the reactive, Michaelis complex

Identifiants

DOI: 10.1021/acs.biochem.3c00355 PMID: 37668546
pubmed: 37668546
doi: 10.1021/acs.biochem.3c00355
doi:

Substances chimiques

L-methionine gamma-lyase EC 4.4.1.11
Ligands 0
Schiff Bases 0
Pyridoxal Phosphate 5V5IOJ8338
Methionine AE28F7PNPL
Racemethionine 73JWT2K6T3

Types de publication

Journal Article Research Support, Non-U.S. Gov't

Langues

eng

Sous-ensembles de citation

IM

Pagination

2791-2801

Auteurs

Xingyu Chen (X)

Laboratoire de Biologie Structurale de la Cellule (CNRS UMR7654), Ecole Polytechnique, Palaiseau 91128, France.

Nathan Ferchaud (N)

Institut Jean-Pierre Bourgin, INRAE-AgroParisTech, University Paris-Saclay, Versailles 78026, France.

Pierre Briozzo (P)

Institut Jean-Pierre Bourgin, INRAE-AgroParisTech, University Paris-Saclay, Versailles 78026, France.

David Machover (D)

INSERM U935-UA09, University Paris-Saclay, Hôpital Paul-Brousse, 12, Avenue Paul Vaillant-Couturier, 94800 Villejuif, France.

Thomas Simonson (T)

Laboratoire de Biologie Structurale de la Cellule (CNRS UMR7654), Ecole Polytechnique, Palaiseau 91128, France.
ORCID: 0000-0002-5117-7338

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Classifications MeSH

questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de dynamique moléculaire › PLP-Dependent Enzyme Methionine γ-Lyase:...
questionsmedicales.fr › Actions chimiques et utilisations › Utilisations spécialisées de produits chimiques › Produits chimiques de laboratoire › Ligands › PLP-Dependent Enzyme Methionine γ-Lyase:...
questionsmedicales.fr › Composés chimiques organiques › Imines › Bases de Schiff › PLP-Dependent Enzyme Methionine γ-Lyase:...
questionsmedicales.fr › Enzymes et coenzymes › Coenzymes › Phosphate de pyridoxal › PLP-Dependent Enzyme Methionine γ-Lyase:...
questionsmedicales.fr › Acides aminés, peptides et protéines › Acides aminés › Acides aminés soufrés › Méthionine › PLP-Dependent Enzyme Methionine γ-Lyase:...
questionsmedicales.fr › Acides aminés, peptides et protéines › Acides aminés › Acides aminés soufrés › Méthionine › Racéméthionine › PLP-Dependent Enzyme Methionine γ-Lyase:...