Metal-Ion Effects on the Polarization of Metal-Bound Water and Infrared Vibrational Modes of the Coordinated Metal Center of Mycobacterium tuberculosis Pyrazinamidase via Quantum Mechanical Calculations

[Image: see text] Mycobacterium tuberculosis pyrazinamidase (PZAse) is a key enzyme to activate the pro-drug pyrazinamide (PZA). PZAse is a metalloenzyme that coordinates in vitro different divalent metal cofactors in the metal coordination site (MCS). Several metals including Co(2+), Mn(2+), and Zn...

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Autores principales: Salazar-Salinas, Karim, Baldera-Aguayo, Pedro A., Encomendero-Risco, Jimy J., Orihuela, Melvin, Sheen, Patricia, Seminario, Jorge M., Zimic, Mirko
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2014
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4514207/
https://www.ncbi.nlm.nih.gov/pubmed/25055049
http://dx.doi.org/10.1021/jp504096d

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