Stereogram of ADP-ribose docked to the active site of the model structure of human ADPRibase-Mn: identification of interacting amino acids.

<p>Besides ADP-ribose, the model shows the dimetallic center bound to the five short consensus regions of the MDP-superfamily motif (I-V, violet), and the amino acids identified by their interaction with docked ADP-ribose (see the main text for details). This set of hypothetic interactions was the starting point for the mutagenesis experiments. The conformation shown in the figure was the starting structure for the molecular dynamics simulation of the enzyme-substrate complex (<a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0118680#pone.0118680.g003" target="_blank">Fig. 3</a>).