A Multi-Scale Computational Study on the Mechanism of Streptococcus pneumoniae Nicotinamidase (SpNic)

Nicotinamidase (Nic) is a key zinc-dependent enzyme in NAD metabolism that catalyzes the hydrolysis of nicotinamide to give nicotinic acid. A multi-scale computational approach has been used to investigate the catalytic mechanism, substrate binding and roles of active site residues of Nic from S...

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Bibliographic Details
Main Authors: Bogdan F. Ion, Erum Kazim, James W. Gauld
Format: Article
Language:English
Published: MDPI AG 2014-09-01
Series:Molecules
Subjects:
DFT
Online Access:http://www.mdpi.com/1420-3049/19/10/15735