Fig. 5: Overlay of lowest energy pose from induced fit docking of PDEi5 in the CpPDE1 model (gold) with hPDE-V (purple; pdb 1UDT). | Nature Communications

Fig. 5: Overlay of lowest energy pose from induced fit docking of PDEi5 in the CpPDE1 model (gold) with hPDE-V (purple; pdb 1UDT).

From: Identification of potent and orally efficacious phosphodiesterase inhibitors in Cryptosporidium parvum-infected immunocompromised male mice

Fig. 5

Only the seven of the 18 total residues within 4 Å of the PDEi5 ligand that differ between the two proteins are shown, along with Val900 (5 Å). The ligand binding pocket of CpPDE1 is shown as a gray surface. A Induced fit docked pose of PDEi5. B Overlay of sildenafil from hPDE-V structure (pdb 1UDT). Arrows indicate steric clashing with Val900 and His884 preventing sildenafil from obtaining the same docking pose in CpPDE1 vs. hPDE-V.

Back to article page