VTR case studies datasets: myoglobin against hemoglobin, RBDs of SARS-CoV-1 vs. SARS-CoV-2, and glucose-tolerant vs. non-tolerant β-glucosidases

Authors: Pimentel, Vitor; Mariano, Diego; Cantão, Letícia Xavier Silva; Bastos, Luana Luiza; Fischer, Pedro; Lima, Leonardo Henrique França de; Fassio, Alexandre Victor; +1 Authors

doi: 10.5281/zenodo.4046537 , 10.5281/zenodo.4046538

VTR case studies datasets: myoglobin against hemoglobin, RBDs of SARS-CoV-1 vs. SARS-CoV-2, and glucose-tolerant vs. non-tolerant β-glucosidases

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Abstract

Description of the four files: contacts.xlsx List of detected contacts for the three case studies pymol_files_case_study_1.zip Contains files in PDB format of the analyzed structures, and files in PML format used to display visualizations in the PyMOL tool for the case study 1: comparison between contacts of myoglobin against hemoglobin pymol_files_case_study_2.zip Contains files in PDB format of the analyzed structures, and files in PML format used to display visualizations in the PyMOL tool for the case study 2: comparison between contacts of RBDs of SARS-CoV-1 vs. SARS-CoV-2 both complexed with the cell receptor ACE2 pymol_files_case_study_3.zip Contains files in PDB format of the analyzed structures, and files in PML format used to display visualizations in the PyMOL tool for the case study 3: comparison between contacts of glucose-tolerant vs. non-tolerant β-glucosidases

Related Organizations

Universidade de São Paulo
Brazil
Universidade Federal de Minas Gerais
Brazil

Keywords

contacts, CoViD-19, β-glucosidases, SARS-CoV-2, myoglobin, SARS-CoV-1, biofuel, structural alignment, structural bioinformatics, hemoglobin, protein interactions

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