The KatG enzymatic activities (catalase, peroxidase, free radical production and isonicotinoyl-NAD formation) of wild-type KatG and the 16 mutants were determined and correlated to their spatial location in a KatG model structure. tuberculosis_ showing mutations other than S315T. We identified 16 mutations (including 13 biochemically uncharacterized mutations) in KatG from INH-R clinical isolates of _M. Resistance to isoniazid (INH-R) in _Mycobacterium tuberculosis_ is mainly due to mutations at position 315 (S315T) of the catalase-peroxidase KatG. Here, we present protocols for using two common visualization tools-the Web-based Jmol and the stand-alone PyMOL package-as well as a few examples of other popular tools. In order for the researcher to take advantage of such a wealth of structural data, it is necessary to gain competency in the use of computer molecular visualization tools for exploring the structures and visualizing three-dimensional spatial representations. Furthermore, these structural snapshots serve as inputs for sophisticated computer simulations to turn the biomolecules into moving, "breathing" molecular machines for understanding their dynamic properties in real-time computer simulations. These snapshots can help explain how the biomolecules function, the nature of interactions between multi-molecular complexes, and even how small-molecule drugs can modulate the biomolecules for clinical benefits. An enormous amount of structural data for a large number of these biomolecules has been described with atomic precision in the form of structural "snapshots" that are freely available in public repositories. ![]() Protein, peptides, and nucleic acids are biomolecules that drive biological processes in living organisms.
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