Geometry of GPPE binding to picrate and to the urokinase type plasminogen activator

Crystal structure of 2-(4-guanidynephenyl)-1-phenyl-ethanone (GPPE) in two different environments was determined in order to compare the binding geometry of these compound to a simple picrate anion and to protein, urokinase-type plasminogen activator (uPA), which may be treated as a target for anti-cancer drugs. It was shown that the conformation and the hydrogen-bonding formation by GPPE molecule are similar in both environments, but several important differences were discovered and described.

We have investigated the conformation of a uPA inhibitor in different crystalline environments. The crystal structures of the urokinase-type plasminogen activator in complex with GPPE and GPPE-picrate were determined.Figure optionsDownload as PowerPoint slide