3c49

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[[Image:3c49.jpg|left|200px]]
 
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{{Structure
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==Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor KU0058948==
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|PDB= 3c49 |SIZE=350|CAPTION= <scene name='initialview01'>3c49</scene>, resolution 2.8&Aring;
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<StructureSection load='3c49' size='340' side='right'caption='[[3c49]], [[Resolution|resolution]] 2.80&Aring;' scene=''>
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|SITE= <scene name='pdbsite=AC1:Ku8+Binding+Site+For+Residue+A+601'>AC1</scene>
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=KU8:4-[3-(1,4-DIAZEPAN-1-YLCARBONYL)-4-FLUOROBENZYL]PHTHALAZIN-1(2H)-ONE'>KU8</scene>
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<table><tr><td colspan='2'>[[3c49]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3C49 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3C49 FirstGlance]. <br>
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/NAD(+)_ADP-ribosyltransferase NAD(+) ADP-ribosyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.30 2.4.2.30] </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]] 2.8&#8491;</td></tr>
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|GENE= PARP3, ADPRT3, ADPRTL3 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=KU8:4-[3-(1,4-DIAZEPAN-1-YLCARBONYL)-4-FLUOROBENZYL]PHTHALAZIN-1(2H)-ONE'>KU8</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=3c49 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3c49 OCA], [https://pdbe.org/3c49 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3c49 RCSB], [https://www.ebi.ac.uk/pdbsum/3c49 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3c49 ProSAT]</span></td></tr>
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|RELATEDENTRY=[[2pa9|2PA9]], [[3c49|3C49]]
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</table>
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3c49 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3c49 OCA], [http://www.ebi.ac.uk/pdbsum/3c49 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=3c49 RCSB]</span>
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== Function ==
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}}
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[https://www.uniprot.org/uniprot/PARP3_HUMAN PARP3_HUMAN] Involved in the base excision repair (BER) pathway, by catalyzing the poly(ADP-ribosyl)ation of a limited number of acceptor proteins involved in chromatin architecture and in DNA metabolism. This modification follows DNA damages and appears as an obligatory step in a detection/signaling pathway leading to the reparation of DNA strand breaks. May link the DNA damage surveillance network to the mitotic fidelity checkpoint. Negatively influences the G1/S cell cycle progression without interfering with centrosome duplication. Binds DNA. May be involved in the regulation of PRC2 and PRC3 complex-dependent gene silencing.<ref>PMID:16924674</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/c4/3c49_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=3c49 ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Poly(ADP-ribose) polymerases (PARPs) activate DNA repair mechanisms upon stress- and cytotoxin-induced DNA damage, and inhibition of PARP activity is a lead in cancer drug therapy. We present a structural and functional analysis of the PARP domain of human PARP-3 in complex with several inhibitors. Of these, KU0058948 is the strongest inhibitor of PARP-3 activity. The presented crystal structures highlight key features for potent inhibitor binding and suggest routes for creating isoenzyme-specific PARP inhibitors.
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'''Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor KU0058948'''
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Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3.,Lehtio L, Jemth AS, Collins R, Loseva O, Johansson A, Markova N, Hammarstrom M, Flores A, Holmberg-Schiavone L, Weigelt J, Helleday T, Schuler H, Karlberg T J Med Chem. 2009 May 14;52(9):3108-11. PMID:19354255<ref>PMID:19354255</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 3c49" style="background-color:#fffaf0;"></div>
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==About this Structure==
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==See Also==
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3C49 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3C49 OCA].
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*[[Poly(ADP-ribose) polymerase 3D structures|Poly(ADP-ribose) polymerase 3D structures]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: NAD(+) ADP-ribosyltransferase]]
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[[Category: Large Structures]]
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[[Category: Single protein]]
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[[Category: Arrowsmith CH]]
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[[Category: Arrowsmith, C H.]]
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[[Category: Berglund H]]
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[[Category: Berg, S Van den.]]
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[[Category: Bountra C]]
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[[Category: Berglund, H.]]
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[[Category: Busam R]]
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[[Category: Bountra, C.]]
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[[Category: Collins R]]
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[[Category: Busam, R.]]
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[[Category: Dahlgren LG]]
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[[Category: Collins, R.]]
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[[Category: Edwards AM]]
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[[Category: Dahlgren, L G.]]
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[[Category: Flodin S]]
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[[Category: Edwards, A M.]]
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[[Category: Flores A]]
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[[Category: Flodin, S.]]
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[[Category: Graslund S]]
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[[Category: Flores, A.]]
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[[Category: Hammarstrom M]]
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[[Category: Graslund, S.]]
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[[Category: Helleday T]]
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[[Category: Hammarstrom, M.]]
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[[Category: Herman MD]]
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[[Category: Helleday, T.]]
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[[Category: Johansson A]]
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[[Category: Herman, M D.]]
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[[Category: Johansson I]]
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[[Category: Johansson, A.]]
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[[Category: Kallas A]]
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[[Category: Johansson, I.]]
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[[Category: Karlberg T]]
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[[Category: Kallas, A.]]
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[[Category: Kotenyova T]]
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[[Category: Karlberg, T.]]
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[[Category: Lehtio L]]
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[[Category: Kotenyova, T.]]
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[[Category: Moche M]]
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[[Category: Lehtio, L.]]
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[[Category: Nilsson ME]]
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[[Category: Moche, M.]]
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[[Category: Nordlund P]]
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[[Category: Nilsson, M E.]]
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[[Category: Nyman T]]
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[[Category: Nordlund, P.]]
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[[Category: Persson C]]
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[[Category: Nyman, T.]]
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[[Category: Sagemark J]]
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[[Category: Persson, C.]]
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[[Category: Svensson L]]
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[[Category: SGC, Structural Genomics Consortium.]]
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[[Category: Thorsell AG]]
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[[Category: Sagemark, J.]]
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[[Category: Tresaugues L]]
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[[Category: Svensson, L.]]
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[[Category: Van den Berg S]]
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[[Category: Thorsell, A G.]]
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[[Category: Weigelt J]]
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[[Category: Tresaugues, L.]]
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[[Category: Welin M]]
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[[Category: Weigelt, J.]]
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[[Category: Welin, M.]]
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[[Category: alternative splicing]]
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[[Category: catalytic fragment]]
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[[Category: enzyme-inhibitor complex]]
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[[Category: glycosyltransferase]]
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[[Category: nad]]
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[[Category: nucleus]]
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[[Category: sgc]]
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[[Category: structural genomic]]
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[[Category: structural genomics consortium]]
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[[Category: transferase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 05:30:25 2008''
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Current revision

Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor KU0058948

PDB ID 3c49

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Proteopedia Page Contributors and Editors (what is this?)

OCA

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