Figure 2
Structure of hCA II in complex with ibuprofen. (a) Surface view of the complex, with the hydrophobic face of the hCA II active site in orange, the hydrophilic face in purple and ibuprofen in green. (b) Close-up of the ibuprofen binding site with a 2Fo − Fc electron-density mesh (blue, contoured at 1.0σ). (c) Interactions of ibuprofen with relevant hCA II residues as labeled. Hydrogen bonds are shown as dashed lines, waters as red spheres, zinc ions as magenta spheres and bound ibuprofen as green sticks. |