Browsing by Subject "Water/chemistry/metabolism"

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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

Salazar-Salinas, Karim; Baldera-Aguayo, Pedro A.; Encomendero-Risco, Jimy J.; Orihuela, Melvin; Sheen Cortavarria, Patricia; Seminario, Jorge M.; Zimic-Peralta, Mirko Juan (American Chemical Society, 2014)

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 ...

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