2QPL
Crystal structure of calf spleen purine nucleoside phosphorylase complexed to a novel purine analogue
Summary for 2QPL
| Entry DOI | 10.2210/pdb2qpl/pdb |
| Related | 1a9p 1vnf |
| Descriptor | Purine nucleoside phosphorylase, SULFATE ION, MAGNESIUM ION, ... (5 entities in total) |
| Functional Keywords | purine nucleoside phosphorylase, acetylation, glycosyltransferase, transferase |
| Biological source | Bos taurus (cattle) |
| Cellular location | Cytoplasm, cytoskeleton (By similarity): P55859 |
| Total number of polymer chains | 1 |
| Total formula weight | 31713.31 |
| Authors | Pereira, H.M.,Berdini, V.,Cleasby, A.,Garratt, R.C. (deposition date: 2007-07-24, release date: 2007-12-18, Last modification date: 2023-11-29) |
| Primary citation | Pereira, H.M.,Berdini, V.,Cleasby, A.,Garratt, R.C. Crystal structure of calf spleen purine nucleoside phosphorylase complexed to a novel purine analogue. Febs Lett., 581:5082-5086, 2007 Cited by PubMed Abstract: 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. PubMed: 17927987DOI: 10.1016/j.febslet.2007.09.051 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.1 Å) |
Structure validation
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