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Figure 3.
Fig. 3. A composite surface representation of StaDDl
ligand-binding sites. The electrostatic protein surface was
constructed from apo StaDDl structure, with red and blue
representing negative and positive charges, respectively, white
is for neutral. Ligands are in stick model. ADP and the first
Mg^2+ (Mg1) are from ADP+Mg^2+-bound StaDDl structure. The
phosphorylated phosphinate and the second Mg^2+ (Mg2) are
modeled in from substrates bound LmDDl2 monomer by
superimposition by using program LSQMAN (20). Inhibitor 1 is
from inhibitor 1–StaDDl complex. For clarity, the carbon atoms
of ADP, phosphinate, and inhibitor 1 are shown in cyan, yellow,
and magenta color, respectively.
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