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

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.