2qpl | pdb_00002qpl
Crystal structure of calf spleen purine nucleoside phosphorylase complexed to a novel purine analogue
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Overview
The combined use of a rapid virtual screen of a small fragment library together with a single point enzyme assay has been used for the discovery of novel PNP inhibitors. The availability of readily soakable crystals of bovine PNP has allowed the approach to be experimentally validated by determining the crystal structure of one of the inhibitor-PNP complexes. Comparison of the experimentally determined binding mode with that predicted by the virtual screening shows them to be similar. This represents a starting point for the growth of the ligand into a higher affinity inhibitor.
About this Structure
2QPL is a Single protein structure of sequence from Bos taurus with SO4, MG and BTY as ligands. Active as Purine-nucleoside phosphorylase, with EC number 2.4.2.1 Full crystallographic information is available from OCA.
Reference
Crystal structure of calf spleen purine nucleoside phosphorylase complexed to a novel purine analogue., Pereira HM, Berdini V, Cleasby A, Garratt RC, FEBS Lett. 2007 Oct 30;581(26):5082-6. Epub 2007 Oct 2. PMID:17927987
Page seeded by OCA on Thu Feb 21 18:41:11 2008
