Ultrafast dynamics of fully reduced flavin in catalytic structures of thymidylate synthase ThyX.

Biocatalysis Dinitrocresols / chemistry Molecular Dynamics Simulation Molecular Structure Oxidation-Reduction Thermotoga maritima / enzymology Thymidylate Synthase / chemistry

Journal

Physical chemistry chemical physics : PCCP
ISSN: 1463-9084
Titre abrégé: Phys Chem Chem Phys
Pays: England
ID NLM: 100888160

Informations de publication

Date de publication:
13 Oct 2021
Historique:
pubmed: 5 10 2021
medline: 21 10 2021
entrez: 4 10 2021
Statut: epublish

Résumé

Thymidylate is a vital DNA precursor synthesized by thymidylate synthases. ThyX is a flavin-dependent thymidylate synthase found in several human pathogens and absent in humans, which makes it a potential target for antimicrobial drugs. This enzyme methylates the 2'-deoxyuridine 5'-monophosphate (dUMP) to 2'-deoxythymidine 5'-monophosphate (dTMP) using a reduced flavin adenine dinucleotide (FADH

Identifiants

DOI: 10.1039/d1cp03379d PMID: 34605505
pubmed: 34605505
doi: 10.1039/d1cp03379d
doi:

Substances chimiques

Dinitrocresols 0
4,6-dinitro-o-cresol 1604ZJR09T
Thymidylate Synthase EC 2.1.1.45

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

22692-22702

Auteurs

Nadia Dozova (N)

PASTEUR, Département de chimie, École normale supérieure, PSL University, Sorbonne Université, CNRS, 75005 Paris, France. pascal.plaza@ens.psl.eu.
ORCID: 0000-0002-2638-8547

Fabien Lacombat (F)

PASTEUR, Département de chimie, École normale supérieure, PSL University, Sorbonne Université, CNRS, 75005 Paris, France. pascal.plaza@ens.psl.eu.
ORCID: 0000-0002-2083-9191

Murielle Lombard (M)

Laboratoire de Chimie des Processus Biologiques, CNRS-UMR 8229, Collège de France, Sorbonne Université, 75005 Paris, France. djemel.hamdane@college-de-france.fr.
ORCID: 0000-0002-4775-3494

Djemel Hamdane (D)

Laboratoire de Chimie des Processus Biologiques, CNRS-UMR 8229, Collège de France, Sorbonne Université, 75005 Paris, France. djemel.hamdane@college-de-france.fr.
ORCID: 0000-0002-1737-8320

Pascal Plaza (P)

PASTEUR, Département de chimie, École normale supérieure, PSL University, Sorbonne Université, CNRS, 75005 Paris, France. pascal.plaza@ens.psl.eu.
ORCID: 0000-0002-8021-4521

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Classifications MeSH

questionsmedicales.fr › Métabolisme › Biocatalyse › Ultrafast dynamics of fully reduced flavin in...
questionsmedicales.fr › Composés chimiques organiques › Composés nitrés › Dinitrocrésols › Ultrafast dynamics of fully reduced flavin in...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de dynamique moléculaire › Ultrafast dynamics of fully reduced flavin in...
questionsmedicales.fr › Phénomènes chimiques › Structure moléculaire › Ultrafast dynamics of fully reduced flavin in...
questionsmedicales.fr › Métabolisme › Métabolisme énergétique › Oxydoréduction › Ultrafast dynamics of fully reduced flavin in...
questionsmedicales.fr › Bactéries › Bactéries à Gram négatif › Bactéries anaérobies à Gram négatif › Bâtonnets à Gram négatif anaérobies droits, incurvés et spiralés › Thermotoga › Thermotoga maritima › Ultrafast dynamics of fully reduced flavin in...
questionsmedicales.fr › Enzymes et coenzymes › Enzymes › Transferases › One-carbon group transferases › Methyltransferases › Thymidylate synthase › Ultrafast dynamics of fully reduced flavin in...