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5ws1

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==Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor==
==Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor==
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<StructureSection load='5ws1' size='340' side='right' caption='[[5ws1]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
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<StructureSection load='5ws1' size='340' side='right'caption='[[5ws1]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[5ws1]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WS1 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5WS1 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[5ws1]] is a 2 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=5WS1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5WS1 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7U9:2-[(3R)-3-AZANYLPYRROLIDIN-1-YL]CARBONYL-1H-BENZIMIDAZOLE-4-CARBOXAMIDE'>7U9</scene></td></tr>
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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]] 1.9&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5wrq|5wrq]], [[5wry|5wry]], [[5wrz|5wrz]], [[5ws0|5ws0]]</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7U9:2-[(3R)-3-AZANYLPYRROLIDIN-1-YL]CARBONYL-1H-BENZIMIDAZOLE-4-CARBOXAMIDE'>7U9</scene></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><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></td></tr>
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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=5ws1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ws1 OCA], [https://pdbe.org/5ws1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5ws1 RCSB], [https://www.ebi.ac.uk/pdbsum/5ws1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5ws1 ProSAT]</span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5ws1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ws1 OCA], [http://pdbe.org/5ws1 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5ws1 RCSB], [http://www.ebi.ac.uk/pdbsum/5ws1 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5ws1 ProSAT]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/PARP1_HUMAN PARP1_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. Mediates the poly(ADP-ribosyl)ation of APLF and CHFR. Positively regulates the transcription of MTUS1 and negatively regulates the transcription of MTUS2/TIP150. With EEF1A1 and TXK, forms a complex that acts as a T-helper 1 (Th1) cell-specific transcription factor and binds the promoter of IFN-gamma to directly regulate its transcription, and is thus involved importantly in Th1 cytokine production.<ref>PMID:17177976</ref> <ref>PMID:18172500</ref> <ref>PMID:19344625</ref> <ref>PMID:19661379</ref>
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[https://www.uniprot.org/uniprot/PARP1_HUMAN PARP1_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. Mediates the poly(ADP-ribosyl)ation of APLF and CHFR. Positively regulates the transcription of MTUS1 and negatively regulates the transcription of MTUS2/TIP150. With EEF1A1 and TXK, forms a complex that acts as a T-helper 1 (Th1) cell-specific transcription factor and binds the promoter of IFN-gamma to directly regulate its transcription, and is thus involved importantly in Th1 cytokine production.<ref>PMID:17177976</ref> <ref>PMID:18172500</ref> <ref>PMID:19344625</ref> <ref>PMID:19661379</ref>
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==See Also==
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*[[Poly(ADP-ribose) polymerase 3D structures|Poly(ADP-ribose) polymerase 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Cao, R]]
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[[Category: Homo sapiens]]
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[[Category: Huang, N]]
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[[Category: Large Structures]]
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[[Category: Wang, Y L]]
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[[Category: Cao R]]
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[[Category: Xu, B L]]
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[[Category: Huang N]]
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[[Category: Zhou, J]]
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[[Category: Wang YL]]
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[[Category: Complex]]
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[[Category: Xu BL]]
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[[Category: Inhibitor]]
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[[Category: Zhou J]]
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[[Category: Transferase-transferase inhibitor complex]]
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Current revision

Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor

PDB ID 5ws1

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