|
Figure 2.
Fig. 2. Inhibitor 3 in complex with human thrombin blocked at
the exosite by hirugen. (a) View of the active site, with
solvent-accessible surface of thrombin's heavy chain in pale
green, light chain in blue and hirugen in violet. Two refined
sodium ions are shown as yellow spheres, water molecules as red
spheres and the inhibitor skeleton in orange sticks; heteroatoms
are color-coded. The F[o] − F[c] difference electron density
for 3 is depicted in blue at 2.5σ. (b) Active-site residues are
represented by green sticks; ligand 3 is shown in orange. The
red sphere represents the water molecule being involved in a
hydrogen-bonding network. Hydrogen bonds are indicated as broken
lines in magenta.
|
