Fig. 2.
(A) Stereo figure of diprophylline in the active site of CpOGA. The CpOGA active site is shown with residues contributing to diprophylline binding and/or surrounding the compound, as sticks with grey carbon, red oxygen and blue nitrogen atoms. Diprophylline is depicted in sticks with green carbon, red oxygen, blue nitrogen atoms. Hydrogen bonds between the ligand and the protein are indicated by black dashed lines. Unbiased ∣Fo∣ − ∣FC∣, ϕcalc electron density (2.75 σ) for diprophylline is shown in cyan. (B) Stereo view of the superimposed crystallographically determined complexes of CpOGA with diprophylline (colour scheme as in panel (A) and STZ (PDB entry 2VUR, depicted in sticks with cyan carbon, red oxygen and blue nitrogen atoms). Hydrogen bonds between the protein and diprophylline are indicated by black dashed lines.