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Figure 3.
Figure 3. Drawings showing the three agonists and their
interactions with the S1S2J protein. (a) 2-Me-Tet-AMPA, (b)
ACPA, and (c) Br-HIBO. The bonds of the protein are displayed in
yellow and the bound agonists bonds are in blue. Water molecules
are shown as red spheres, while remaining atoms are in standard
atomic colours (carbon is black, oxygen is red, nitrogen is
blue, and bromine is green). Broken lines indicate all potential
hydrogen bonds or ionic interactions within 3.3 Å.
Radiating spheres indicate hydrophobic contacts within 3.9
Å between carbon atoms in the agonist and neighbouring
residues. The only exception is in (c), where hydrophobic
contacts between the bromine atom and neighbouring residues are
displayed. The binding site of protomer A was employed for
(a) and (b), and the binding sites for protomers B and C have
similar structures. This Figure was prepared with the program
Ligplot.[55.] (d) F[o]−F[c] omit electron density map
contoured at 3.0σ for S1S2J:2-Me-Tet-AMPA, S1S2J:ACPA,
S1S2J:Br-HIBO, and S1S2J-Y702F:Br-HIBO was prepared by
BOBSCRIPT.[56.]
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