Computational protocol: Biochemical characterization and novel inhibitor identification of Mycobacterium tuberculosis Endonuclease VIII 2 (Rv3297)

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Protocol publication

[…] A structural model of MtbNei2 was generated using Modeller 9.10 (http://salilab.org/modeller/download_installation.html) with the structure of the MutM (Fpg) from Geobacillus stearothermophilus protein (PDB: 1L1T, 29% Identity) as template. The final refined model was validated using RAMPAGE and more than 94% of residues were found to be in the most favorable region of the Ramachandran plot (). MtbNei2 model was superimposed with known Nei and Fpg crystal structures using Rapido in order to locate active site, lesion recognition loop and zinc finger motifs. Visualization of structures was carried out using Chimera […]

Pipeline specifications

Software tools MODELLER, RAPIDO
Application Protein structure analysis
Diseases Tuberculosis
Chemicals Zinc