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3tdc

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==Crystal Structure of Human Acetyl-CoA carboxylase 2==
==Crystal Structure of Human Acetyl-CoA carboxylase 2==
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<StructureSection load='3tdc' size='340' side='right' caption='[[3tdc]], [[Resolution|resolution]] 2.41&Aring;' scene=''>
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<StructureSection load='3tdc' size='340' side='right'caption='[[3tdc]], [[Resolution|resolution]] 2.41&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3tdc]] is a 1 chain structure with 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=3TDC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3TDC FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3tdc]] 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=3TDC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3TDC 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=0EU:1-[3-({4-[(5S)-3,3-DIMETHYL-1-OXO-2-OXA-7-AZASPIRO[4.5]DEC-7-YL]PIPERIDIN-1-YL}CARBONYL)-1-BENZOTHIOPHEN-2-YL]-3-ETHYLUREA'>0EU</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]] 2.41&#8491;</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/Acetyl-CoA_carboxylase Acetyl-CoA carboxylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.4.1.2 6.4.1.2] </span></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=0EU:1-[3-({4-[(5S)-3,3-DIMETHYL-1-OXO-2-OXA-7-AZASPIRO[4.5]DEC-7-YL]PIPERIDIN-1-YL}CARBONYL)-1-BENZOTHIOPHEN-2-YL]-3-ETHYLUREA'>0EU</scene></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=3tdc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tdc OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3tdc RCSB], [http://www.ebi.ac.uk/pdbsum/3tdc PDBsum]</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=3tdc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tdc OCA], [https://pdbe.org/3tdc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3tdc RCSB], [https://www.ebi.ac.uk/pdbsum/3tdc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3tdc ProSAT]</span></td></tr>
</table>
</table>
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<div style="background-color:#fffaf0;">
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== Function ==
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== Publication Abstract from PubMed ==
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[https://www.uniprot.org/uniprot/ACACB_HUMAN ACACB_HUMAN] ACC-beta may be involved in the provision of malonyl-CoA or in the regulation of fatty acid oxidation, rather than fatty acid biosynthesis. Carries out three functions: biotin carboxyl carrier protein, biotin carboxylase and carboxyltransferase.
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The co-crystal structure of the human acetyl-coenzyme A 2 (ACC2) carboxyl transferase domain and the reported compound CP-640186 (1b) suggested that two carbonyl groups are essential for potent ACC2 inhibition. By focusing on enhancing the interactions between the two carbonyl groups and the amino acid residues Gly(2162) and Glu(2230), we used ligand- and structure-based drug design to discover spirolactones bearing a 2-ureidobenzothiophene moiety.
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Design, synthesis, and structure-activity relationships of spirolactones bearing 2-ureidobenzothiophene as acetyl-CoA carboxylases inhibitors.,Yamashita T, Kamata M, Endo S, Yamamoto M, Kakegawa K, Watanabe H, Miwa K, Yamano T, Funata M, Sakamoto J, Tani A, Mol CD, Zou H, Dougan DR, Sang B, Snell G, Fukatsu K Bioorg Med Chem Lett. 2011 Nov 1;21(21):6314-8. Epub 2011 Sep 6. PMID:21944854<ref>PMID:21944854</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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==See Also==
==See Also==
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*[[Acetyl-CoA carboxylase|Acetyl-CoA carboxylase]]
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*[[Acetyl-CoA carboxylase 3D structures|Acetyl-CoA carboxylase 3D structures]]
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Acetyl-CoA carboxylase]]
 
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Dougan, D R]]
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[[Category: Large Structures]]
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[[Category: Mol, C D]]
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[[Category: Dougan DR]]
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[[Category: Biotin]]
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[[Category: Mol CD]]
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[[Category: Carboxylase]]
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[[Category: Ligase-ligase inhibitor complex]]
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[[Category: Malonyl-coa]]
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Current revision

Crystal Structure of Human Acetyl-CoA carboxylase 2

PDB ID 3tdc

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