4c78

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{{STRUCTURE_4c78| PDB=4c78 | SCENE= }}
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==Complex of human Sirt3 with Bromo-Resveratrol and ACS2 peptide==
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===Complex of human Sirt3 with Bromo-Resveratrol and ACS2 peptide===
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<StructureSection load='4c78' size='340' side='right' caption='[[4c78]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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{{ABSTRACT_PUBMED_24211137}}
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== Structural highlights ==
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<table><tr><td colspan='2'>[[4c78]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C78 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4C78 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=BVB:5-[(E)-2-(4-BROMOPHENYL)ETHENYL]BENZENE-1,3-DIOL'>BVB</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=ALY:N(6)-ACETYLLYSINE'>ALY</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4c7b|4c7b]]</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/Acetate--CoA_ligase Acetate--CoA ligase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.2.1.1 6.2.1.1] </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=4c78 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c78 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4c78 RCSB], [http://www.ebi.ac.uk/pdbsum/4c78 PDBsum]</span></td></tr>
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</table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Sirtuins are protein deacetylases regulating aging processes and various physiological functions. Resveratrol, a polyphenol found in red wine, activates human Sirt1 and inhibits Sirt3, and it can mimic calorie restriction effects, such as lifespan extension in lower organisms. The mechanism of Sirtuin modulation by resveratrol is not well understood. We used 4'-bromo-resveratrol (5-(2-(4-hydroxyphenyl)vinyl)-1,3-benzenediol) to study Sirt1 and Sirt3 modulation. Despite its similarity to the Sirt1 activator resveratrol, the compound potently inhibited both, Sirt1 and Sirt3. Crystal structures of Sirt3 in complex with a fluorophore-labeled and with a native substrate peptide, respectively, in presence of 4'-bromo-resveratrol reveal two compound binding sites. Biochemical studies identify the internal site and substrate competition as the mechanism for inhibition, providing a drug target site, and homology modeling suggests that the second, allosteric site might indicate the site for Sirt1 activation.
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==Function==
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Crystal structures of sirt3 complexes with 4'-bromo-resveratrol reveal binding sites and inhibition mechanism.,Nguyen GT, Gertz M, Steegborn C Chem Biol. 2013 Nov 21;20(11):1375-85. doi: 10.1016/j.chembiol.2013.09.019. Epub , 2013 Nov 7. PMID:24211137<ref>PMID:24211137</ref>
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[[http://www.uniprot.org/uniprot/SIR3_HUMAN SIR3_HUMAN]] NAD-dependent protein deacetylase. Activates mitochondrial target proteins, including ACSS1, IDH2 and GDH by deacetylating key lysine residues. Contributes to the regulation of the cellular energy metabolism. Important for regulating tissue-specific ATP levels.<ref>PMID:16788062</ref> <ref>PMID:18680753</ref> <ref>PMID:18794531</ref> <ref>PMID:19535340</ref> [[http://www.uniprot.org/uniprot/ACS2L_HUMAN ACS2L_HUMAN]] Important for maintaining normal body temperature during fasting and for energy homeostasis. Essential for energy expenditure under ketogenic conditions (By similarity). Converts acetate to acetyl-CoA so that it can be used for oxidation through the tricarboxylic cycle to produce ATP and CO(2).<ref>PMID:16788062</ref>
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==About this Structure==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[4c78]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C78 OCA].
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</div>
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:024211137</ref><references group="xtra"/><references/>
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__TOC__
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</StructureSection>
[[Category: Acetate--CoA ligase]]
[[Category: Acetate--CoA ligase]]
[[Category: Human]]
[[Category: Human]]
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[[Category: Gertz, M.]]
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[[Category: Gertz, M]]
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[[Category: Nguyen, G T.T.]]
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[[Category: Nguyen, G T.T]]
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[[Category: Steegborn, C.]]
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[[Category: Steegborn, C]]
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[[Category: Weyand, M.]]
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[[Category: Weyand, M]]
[[Category: Activation]]
[[Category: Activation]]
[[Category: Aging]]
[[Category: Aging]]

Revision as of 17:43, 21 December 2014

Complex of human Sirt3 with Bromo-Resveratrol and ACS2 peptide

4c78, resolution 2.00Å

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