Theoretical Studies on the Binding Mode and Reaction Mechanism of TLP Hydrolase <i>kp</i>HIUH

Theoretical Studies on the Binding Mode and Reaction Mechanism of TLP Hydrolase <i>kp</i>HIUH

In this work, we have investigated the binding conformations of the substrate in the active site of 5-HIU hydrolase <i>kp</i>HIUH and its catalytic hydrolysis mechanism. Docking calculations revealed that the substrate adopts a conformation in the active site with its molecular plane lay...

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Bibliographic Details
Main Authors: Xixi Wang, Jiankai Shan, Wei Liu, Jing Li, Hongwei Tan, Xichen Li, Guangju Chen
Format: Article
Language:English
Published: MDPI AG 2021-06-01
Series:Molecules
Subjects:
5-HIU hydrolase
binding mode
hydrolysis mechanism
DFT calculation
Online Access:https://www.mdpi.com/1420-3049/26/13/3884

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