 | Acta Crystallographica Section D Acta Crystallographica Section D BIOLOGICAL CRYSTALLOGRAPHY |
journal menu
![[Figure 6]](rr5091fig6mag.jpg)
|
|
Figure 6
Simulated docking of atrazine in the AtzA active site: the highest scoring docked pose produced using the RosettaLigand docking protocol with the coordinates from PDB entry 4v1x that placed atrazine within a physically reasonable distance for nucleophilic substitution by the activated water. Although it is notionally possible to rotate the plane of the atrazine ring through 180°, the steric environment of the binding pocket appear to prohibit this alternative binding mode. The crystal structure (grey) and the modelled structure produced during docking simulations (cyan) are shown. The active-site metal (Fe2+) is shown as a blue sphere. |
![[Figure 6]](rr5091fig6.jpg)
| BIOLOGICAL CRYSTALLOGRAPHY |
ISSN: 1399-0047
