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

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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Bibliographic Details
Main Authors: Congcong Li, Siao Chen, Tianci Huang, Fangning Zhang, Jiawei Yuan, Hao Chang, Wannan Li, Weiwei Han
Format: Article
Language:English
Published: Frontiers Media S.A. 2021-02-01
Series:Frontiers in Chemistry
Subjects:
5′-phosphoribosylpyrophosphate amidotransferase
substrates analogue
molecular dynamics simulations
accelerated molecular dynamics simulations
conformational changes
Online Access:https://www.frontiersin.org/articles/10.3389/fchem.2021.640994/full

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https://www.frontiersin.org/articles/10.3389/fchem.2021.640994/full

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