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3tzb

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<StructureSection load='3tzb' size='340' side='right'caption='[[3tzb]], [[Resolution|resolution]] 2.19&Aring;' scene=''>
<StructureSection load='3tzb' size='340' side='right'caption='[[3tzb]], [[Resolution|resolution]] 2.19&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3tzb]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TZB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3TZB FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3tzb]] is a 4 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=3TZB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3TZB FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AA:9-AMINOACRIDINE'>AA</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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]] 2.1901&#8491;</td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">NQO2, NMOR2 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=AA:9-AMINOACRIDINE'>AA</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Ribosyldihydronicotinamide_dehydrogenase_(quinone) Ribosyldihydronicotinamide dehydrogenase (quinone)], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.10.99.2 1.10.99.2] </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=3tzb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tzb OCA], [https://pdbe.org/3tzb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3tzb RCSB], [https://www.ebi.ac.uk/pdbsum/3tzb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3tzb ProSAT]</span></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3tzb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tzb OCA], [https://pdbe.org/3tzb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3tzb RCSB], [https://www.ebi.ac.uk/pdbsum/3tzb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3tzb ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[https://www.uniprot.org/uniprot/NQO2_HUMAN NQO2_HUMAN]] The enzyme apparently serves as a quinone reductase in connection with conjugation reactions of hydroquinones involved in detoxification pathways as well as in biosynthetic processes such as the vitamin K-dependent gamma-carboxylation of glutamate residues in prothrombin synthesis.<ref>PMID:18254726</ref>
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[https://www.uniprot.org/uniprot/NQO2_HUMAN NQO2_HUMAN] The enzyme apparently serves as a quinone reductase in connection with conjugation reactions of hydroquinones involved in detoxification pathways as well as in biosynthetic processes such as the vitamin K-dependent gamma-carboxylation of glutamate residues in prothrombin synthesis.<ref>PMID:18254726</ref>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The National Cancer Institute chemical database has been screened using in silico docking to identify novel nanomolar inhibitors of NRH:quinone oxidoreductase 2 (NQO2). The inhibitors identified from the screen exhibit a diverse range of scaffolds and the structure of one of the inhibitors, NSC13000 cocrystalized with NQO2, has been solved. This has been used to aid the generation of a structure-activity relationship between the computationally derived binding affinity and experimentally measured enzyme inhibitory potency. Many of the compounds are functionally active as inhibitors of NQO2 in cells at nontoxic concentrations. To show this, advantage was taken of the NQO2-mediated toxicity of the chemotherapeutic drug CB1954. The toxicity of this drug is substantially reduced when the function of NQO2 is inhibited, and many of the compounds achieve this in cells at nanomolar concentrations. The NQO2 inhibitors also attenuated TNFalpha-mediated, NF-small ka, CyrillicB-driven transcriptional activity. The link between NQO2 and the regulation of NF-small ka, CyrillicB was confirmed by using short interfering RNA to NQO2 and by the observation that NRH, the cofactor for NQO2 enzyme activity, could regulate NF-small ka, CyrillicB activity in an NQO2-dependent manner. NF-small ka, CyrillicB is a potential therapeutic target and this study reveals an underlying mechanism that may be usable for developing new anticancer drugs.
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In silico screening reveals structurally diverse, nanomolar inhibitors of NQO2 that are functionally active in cells and can modulate NF-kappaB signaling.,Nolan KA, Dunstan MS, Caraher MC, Scott KA, Leys D, Stratford IJ Mol Cancer Ther. 2012 Jan;11(1):194-203. doi: 10.1158/1535-7163.MCT-11-0543. Epub, 2011 Nov 16. PMID:22090421<ref>PMID:22090421</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 3tzb" style="background-color:#fffaf0;"></div>
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==See Also==
==See Also==
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*[[Quinone reductase|Quinone reductase]]
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*[[Quinone reductase 3D structures|Quinone reductase 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Human]]
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[[Category: Homo sapiens]]
[[Category: Large Structures]]
[[Category: Large Structures]]
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[[Category: Dunstan, M S]]
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[[Category: Dunstan MS]]
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[[Category: Leys, D]]
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[[Category: Leys D]]
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[[Category: Fad]]
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[[Category: Oxidoreductase]]
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Current revision

Quinone Oxidoreductase (NQ02) bound to NSC13000

PDB ID 3tzb

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