2qpl
From Proteopedia
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| - | [[Image:2qpl.jpg|left|200px]] | + | [[Image:2qpl.jpg|left|200px]] |
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| - | '''Crystal structure of calf spleen purine nucleoside phosphorylase complexed to a novel purine analogue''' | + | {{Structure |
| + | |PDB= 2qpl |SIZE=350|CAPTION= <scene name='initialview01'>2qpl</scene>, resolution 2.10Å | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene> and <scene name='pdbligand=BTY:'>BTY</scene> | ||
| + | |ACTIVITY= [http://en.wikipedia.org/wiki/Purine-nucleoside_phosphorylase Purine-nucleoside phosphorylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.1 2.4.2.1] | ||
| + | |GENE= | ||
| + | }} | ||
| + | |||
| + | '''Crystal structure of calf spleen purine nucleoside phosphorylase complexed to a novel purine analogue''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 2QPL is a [ | + | 2QPL is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2QPL OCA]. |
==Reference== | ==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:[http:// | + | 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:[http://www.ncbi.nlm.nih.gov/pubmed/17927987 17927987] |
[[Category: Bos taurus]] | [[Category: Bos taurus]] | ||
[[Category: Purine-nucleoside phosphorylase]] | [[Category: Purine-nucleoside phosphorylase]] | ||
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[[Category: transferase]] | [[Category: transferase]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 18:28:12 2008'' |
Revision as of 16:28, 20 March 2008
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| , resolution 2.10Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , and | ||||||
| Activity: | Purine-nucleoside phosphorylase, with EC number 2.4.2.1 | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Crystal structure of calf spleen purine nucleoside phosphorylase complexed to a novel purine analogue
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. 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 Mar 20 18:28:12 2008
