Conformational Changes of Glutamine 5′-Phosphoribosylpyrophosphate Amidotransferase for Two Substrates Analogue Binding: Insight from Conventional Molecular Dynamics and Accelerated Molecular Dynamics Simulations

Glutamine 5′-phosphoribosylpyrophosphate amidotransferase (GPATase) catalyzes the synthesis of phosphoribosylamine, pyrophosphate, and glutamate from phosphoribosylpyrophosphate, as well as glutamine at two sites (i.e., glutaminase and phosphoribosylpyrophosphate sites), through a 20 Å NH3 channel....

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Principais autores:	Congcong Li, Siao Chen, Tianci Huang, Fangning Zhang, Jiawei Yuan, Hao Chang, Wannan Li, Weiwei Han
Formato:	Artigo
Idioma:	Inglês
Publicado:	Frontiers Media S.A. 2021-02-01
Series:	Frontiers in Chemistry
Assuntos:	5′-phosphoribosylpyrophosphate amidotransferase substrates analogue molecular dynamics simulations accelerated molecular dynamics simulations conformational changes
Acceso en liña:	https://www.frontiersin.org/articles/10.3389/fchem.2021.640994/full
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