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6c6p

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Current revision (14:26, 13 March 2024) (edit) (undo)
 
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<StructureSection load='6c6p' size='340' side='right'caption='[[6c6p]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
<StructureSection load='6c6p' size='340' side='right'caption='[[6c6p]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[6c6p]] 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=6C6P OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6C6P FirstGlance]. <br>
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<table><tr><td colspan='2'>[[6c6p]] 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=6C6P OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6C6P 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=CPS:3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE'>CPS</scene>, <scene name='pdbligand=EMV:(2E)-N-({3-[([3,3-bithiophen]-5-yl)methoxy]phenyl}methyl)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine'>EMV</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</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]] 2.5&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[6c6n|6c6n]], [[6c6r|6c6r]]</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=CPS:3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE'>CPS</scene>, <scene name='pdbligand=EMV:(2E)-N-({3-[([3,3-bithiophen]-5-yl)methoxy]phenyl}methyl)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine'>EMV</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">SQLE, ERG1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=6c6p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6c6p OCA], [https://pdbe.org/6c6p PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6c6p RCSB], [https://www.ebi.ac.uk/pdbsum/6c6p PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6c6p ProSAT]</span></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/Squalene_monooxygenase Squalene monooxygenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.14.17 1.14.14.17] </span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6c6p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6c6p OCA], [http://pdbe.org/6c6p PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6c6p RCSB], [http://www.ebi.ac.uk/pdbsum/6c6p PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6c6p ProSAT]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/ERG1_HUMAN ERG1_HUMAN]] Catalyzes the first oxygenation step in sterol biosynthesis and is suggested to be one of the rate-limiting enzymes in this pathway.
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[https://www.uniprot.org/uniprot/ERG1_HUMAN ERG1_HUMAN] Catalyzes the first oxygenation step in sterol biosynthesis and is suggested to be one of the rate-limiting enzymes in this pathway.
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Squalene epoxidase (SQLE), also known as squalene monooxygenase, catalyzes the stereospecific conversion of squalene to 2,3(S)-oxidosqualene, a key step in cholesterol biosynthesis. SQLE inhibition is targeted for the treatment of hypercholesteremia, cancer, and fungal infections. However, lack of structure-function understanding has hindered further progression of its inhibitors. We have determined the first three-dimensional high-resolution crystal structures of human SQLE catalytic domain with small molecule inhibitors (2.3 A and 2.5 A). Comparison with its unliganded state (3.0 A) reveals conformational rearrangements upon inhibitor binding, thus allowing deeper interpretation of known structure-activity relationships. We use the human SQLE structure to further understand the specificity of terbinafine, an approved agent targeting fungal SQLE, and to provide the structural insights into terbinafine-resistant mutants encountered in the clinic. Collectively, these findings elucidate the structural basis for the specificity of the epoxidation reaction catalyzed by SQLE and enable further rational development of next-generation inhibitors.
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Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.,Padyana AK, Gross S, Jin L, Cianchetta G, Narayanaswamy R, Wang F, Wang R, Fang C, Lv X, Biller SA, Dang L, Mahoney CE, Nagaraja N, Pirman D, Sui Z, Popovici-Muller J, Smolen GA Nat Commun. 2019 Jan 9;10(1):97. doi: 10.1038/s41467-018-07928-x. PMID:30626872<ref>PMID:30626872</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 6c6p" style="background-color:#fffaf0;"></div>
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==See Also==
==See Also==
*[[Epoxidase 3D structures|Epoxidase 3D structures]]
*[[Epoxidase 3D structures|Epoxidase 3D structures]]
*[[Monooxygenase 3D structures|Monooxygenase 3D structures]]
*[[Monooxygenase 3D structures|Monooxygenase 3D structures]]
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== References ==
 
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<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: Squalene monooxygenase]]
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[[Category: Jin L]]
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[[Category: Jin, L]]
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[[Category: Padyana AK]]
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[[Category: Padyana, A K]]
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[[Category: 3-epoxidase]]
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[[Category: Cholesterol synthesis pathway]]
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[[Category: Erg1]]
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[[Category: Fad-dependent monooxygenase]]
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[[Category: Flavoprotein]]
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[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]
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[[Category: Sqle]]
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[[Category: Squalene hydroxylase]]
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[[Category: Squalene-2]]
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Current revision

Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and NB-598

PDB ID 6c6p

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