PDBsum entry 2r2w

Hydrolase

PDB id: 2r2w

Contents

Protein chain

247 a.a.

Ligands

SO4

4PG

Waters ×94

References listed in PDB file

Key reference

• Title: Geometry of gppe binding to picrate and to the urokinase type plasminogen activator.
• Authors: E.Zesławska, J.Stürzebecher, B.J.Oleksyn.
• Ref.: Bioorg Med Chem Lett, 2007, 17, 6212-6215. [DOI no: 10.1016/j.bmcl.2007.09.020]
• PubMed id: 17905583

Abstract

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.