Enhanced GDP-D-mannose 4-epimerization and dynamic insights into NDP-sugar 4-epimerase substrate specificity

Carlos Josue Alvarez Quispe

doi:10.5281/zenodo.20569311

August 13, 2025Open Access

Enhanced GDP-D-mannose 4-epimerization and dynamic insights into NDP-sugar 4-epimerase substrate specificity

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Key Points

The research aims to investigate the substrate specificity of NDP-sugar 4-epimerase and enhance GDP-D-mannose epimerization through simulations.
Simulations of PhGal4E_1 WT and M284S variant were conducted using GDP-D-mannose data.
Simulation data, including trajectories and structure, was generated for analysis.
Calculated insights were processed using the EFI-EST web server.
Dynamic simulations provided insights into the structural differences between WT and M284S variants.
The findings elucidate the enzyme's substrate specificity related to GDP-D-mannose.
Data files were successfully prepared for further computational analysis.

Implication

Simulation explores substrate specificity of GDP-D-mannose in enzyme variants, highlighting structural insights.

Abstract

Trajectories, structure and input files for the simulation of PhGal4E_1 WT and M284S variant with GDP-D-Mannose fasta and SSN files (.cys session and .graphml) for calculation in EFI-EST web server

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Cite This Study

Carlos Josue Alvarez Quispe (2025) studied this question.

synapsesocial.com/papers/6a265c42ad53cfb9357c58ed https://doi.org/10.5281/zenodo.20569311

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Enhanced GDP-D-mannose 4-epimerization and dynamic insights into NDP-sugar 4-epimerase substrate specificity

Key Points

Implication

Abstract

Discussion

Cite This Study

Enhanced GDP-D-mannose 4-epimerization and dynamic insights into NDP-sugar 4-epimerase substrate specificity

Key Points

Implication

Abstract

Discussion

Cite This Study

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