The original data on the molecule docking of GAGases and the results of Dali server

Published: 13 May 2025| Version 1 | DOI: 10.17632/m3fsdjprmt.1
Contributors:
Fuchuan Li, Lin Wei

Description

This dataset contains: Molecular docking results between GAGase II and three glycosaminoglycan substrates (HA hexasaccharide, 4-O-tri-sulfated CS, and non-sulfated CS) obtained using AutoDock Vina Tertiary structure similarity analysis of GAGase II against structurally characterized proteins performed using the Dali server Utility: The dataset supports the study titled 'Crystal Structure and Catalytic Mechanism of PL35 Family Glycosaminoglycan Lyases with an Ultra-Broad Substrate Spectrum,' published in eLife.

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Structural Biology, Molecular Docking

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