1ula

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[[Image:1ula.jpg|left|200px]]
 
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{{Structure
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==APPLICATION OF CRYSTALLOGRAPHIC AND MODELING METHODS IN THE DESIGN OF PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITORS==
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|PDB= 1ula |SIZE=350|CAPTION= <scene name='initialview01'>1ula</scene>, resolution 2.75&Aring;
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<StructureSection load='1ula' size='340' side='right'caption='[[1ula]], [[Resolution|resolution]] 2.75&Aring;' scene=''>
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|SITE=
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>
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<table><tr><td colspan='2'>[[1ula]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=2pnp 2pnp]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ULA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1ULA FirstGlance]. <br>
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|ACTIVITY= <span class='plainlinks'>[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] </span>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.75&#8491;</td></tr>
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|GENE=
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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|DOMAIN=
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1ula FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ula OCA], [https://pdbe.org/1ula PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ula RCSB], [https://www.ebi.ac.uk/pdbsum/1ula PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ula ProSAT]</span></td></tr>
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|RELATEDENTRY=
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</table>
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1ula FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ula OCA], [http://www.ebi.ac.uk/pdbsum/1ula PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1ula RCSB]</span>
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== Disease ==
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}}
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[https://www.uniprot.org/uniprot/PNPH_HUMAN PNPH_HUMAN] Defects in PNP are the cause of purine nucleoside phosphorylase deficiency (PNPD) [MIM:[https://omim.org/entry/613179 613179]. It leads to a severe T-cell immunodeficiency with neurologic disorder in children.<ref>PMID:3029074</ref> <ref>PMID:1384322</ref> <ref>PMID:8931706</ref>
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== Function ==
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[https://www.uniprot.org/uniprot/PNPH_HUMAN PNPH_HUMAN] The purine nucleoside phosphorylases catalyze the phosphorolytic breakdown of the N-glycosidic bond in the beta-(deoxy)ribonucleoside molecules, with the formation of the corresponding free purine bases and pentose-1-phosphate.<ref>PMID:2104852</ref>
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ul/1ula_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1ula ConSurf].
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<div style="clear:both"></div>
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'''APPLICATION OF CRYSTALLOGRAPHIC AND MODELING METHODS IN THE DESIGN OF PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITORS'''
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==See Also==
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*[[Purine nucleoside phosphorylase 3D structures|Purine nucleoside phosphorylase 3D structures]]
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== References ==
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==Overview==
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<references/>
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Competitive inhibitors of the salvage pathway enzyme purine-nucleoside phosphorylase (purine-nucleoside:orthophosphate ribosyltransferase, EC 2.4.2.1) have been designed by using the three-dimensional structure of the enzyme as determined by x-ray crystallography. The process was an iterative one that utilized interactive computer graphics, Monte Carlo-based conformational searching, energy minimization, and x-ray crystallography. The proposed compounds were synthesized and tested by an in vitro assay. Among the compounds designed and synthesized are the most potent competitive inhibitors of purine nucleoside phosphorylase thus far reported.
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__TOC__
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</StructureSection>
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==About this Structure==
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1ULA is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. This structure supersedes the now removed PDB entry 2PNP. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ULA OCA].
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==Reference==
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Application of crystallographic and modeling methods in the design of purine nucleoside phosphorylase inhibitors., Ealick SE, Babu YS, Bugg CE, Erion MD, Guida WC, Montgomery JA, Secrist JA 3rd, Proc Natl Acad Sci U S A. 1991 Dec 15;88(24):11540-4. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/1763067 1763067]
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[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Purine-nucleoside phosphorylase]]
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[[Category: Large Structures]]
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[[Category: Single protein]]
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[[Category: Babu YS]]
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[[Category: Babu, Y S.]]
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[[Category: Bugg CE]]
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[[Category: Bugg, C E.]]
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[[Category: Carter DC]]
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[[Category: Carter, D C.]]
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[[Category: Chen S-F]]
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[[Category: Chen, S F.]]
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[[Category: Cook WJ]]
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[[Category: Cook, W J.]]
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[[Category: Ealick SE]]
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[[Category: Ealick, S E.]]
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[[Category: Greenhough TJ]]
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[[Category: Greenhough, T J.]]
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[[Category: Habash J]]
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[[Category: Habash, J.]]
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[[Category: Helliwell JR]]
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[[Category: Helliwell, J R.]]
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[[Category: Parksjunior RE]]
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[[Category: Parksjunior, R E.]]
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[[Category: Rule SA]]
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[[Category: Rule, S A.]]
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[[Category: Stoeckler JD]]
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[[Category: Stoeckler, J D.]]
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[[Category: pentosyltransferase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 00:11:50 2008''
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Current revision

APPLICATION OF CRYSTALLOGRAPHIC AND MODELING METHODS IN THE DESIGN OF PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITORS

PDB ID 1ula

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