Mechanism of Inhibition of the Human Sirtuin Enzyme SIRT3 by Nicotinamide: Computational and Experimental Studies
Figure 8
Snapshots taken from MD simulations of SIRT3:NAD+ binary complex.
Averaged structures of 10 frames over 10 ps at 22, 24, 26, 28, 30 and 32 ns from MD simulation of binary complex (SIRT3:NAD+). Alignment was made using residues 139–151, 313–378 in Rossmann fold domain that forms A binding pocket with respect to SIRT3 ternary complex crystal structure 4FVT.