Figure 4 - full size

 

Figure 4.
Fig. 4. Stick model of the modeled substrate Glu-Ala-Leu-Tyr-Leu-Val, the catalytic triad and the backbone of Gly^193, Ser^195, and Gly^216 of hK7[I] in stereo, including hydrogen bonds as dotted lines. The S1 pocket is depicted as transparent green surface according to volume calculations with VOIDOO (41). The specificity for P1 Tyr is most likely conferred by Asn^189 via hydrogen bonds from the carboxamide side chain to an interconnecting water molecule and to the Tyr OH group, respectively.