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[[Image:1ump.gif|left|200px]]


{{Structure
==GEOMETRY OF TRITERPENE CONVERSION TO PENTACARBOCYCLIC HOPENE==
|PDB= 1ump |SIZE=350|CAPTION= <scene name='initialview01'>1ump</scene>, resolution 2.13&Aring;
<StructureSection load='1ump' size='340' side='right'caption='[[1ump]], [[Resolution|resolution]] 2.13&Aring;' scene=''>
|SITE= <scene name='pdbsite=AC1:Sqa+Binding+Site+For+Chain+C'>AC1</scene>
== Structural highlights ==
|LIGAND= <scene name='pdbligand=C8E:(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE'>C8E</scene>, <scene name='pdbligand=SQA:2-AZASQUALENE'>SQA</scene>
<table><tr><td colspan='2'>[[1ump]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Alicyclobacillus_acidocaldarius Alicyclobacillus acidocaldarius]. The December 2007 RCSB PDB [https://pdb.rcsb.org/pdb/static.do?p=education_discussion/molecule_of_the_month/index.html Molecule of the Month] feature on ''Oxidosqualene Cyclase''  by David S. Goodsell is [https://dx.doi.org/10.2210/rcsb_pdb/mom_2007_12 10.2210/rcsb_pdb/mom_2007_12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1UMP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1UMP FirstGlance]. <br>
|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Squalene--hopene_cyclase Squalene--hopene cyclase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.4.99.17 5.4.99.17] </span>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.13&#8491;</td></tr>
|GENE=
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=C8E:(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE'>C8E</scene>, <scene name='pdbligand=SQA:2-AZASQUALENE'>SQA</scene></td></tr>
|DOMAIN=
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1ump FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ump OCA], [https://pdbe.org/1ump PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ump RCSB], [https://www.ebi.ac.uk/pdbsum/1ump PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ump ProSAT]</span></td></tr>
|RELATEDENTRY=
</table>
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1ump FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ump OCA], [http://www.ebi.ac.uk/pdbsum/1ump PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1ump RCSB]</span>
== Function ==
}}
[https://www.uniprot.org/uniprot/SQHC_ALIAD SQHC_ALIAD] Catalyzes the cyclization of squalene into hopene.
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/um/1ump_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1ump ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The membrane protein squalene-hopene cyclase was cocrystallized with 2-azasqualene and analyzed by X-ray diffraction to 2.13 A resolution. The conformation of this close analog was clearly established, and it agreed with the common textbook presentation. The bound squalene undergoes only small conformational changes during the formation of rings A through D, thus requiring no intermediate. However, ring E formation is hindered by an entropic barrier, which may explain its absence in the steroids. The structure analysis revealed a mobile region between the active center cavity and the membrane, which may melt, opening a passage for squalene and hopene.


'''GEOMETRY OF TRITERPENE CONVERSION TO PENTACARBOCYCLIC HOPENE'''
Conversion of squalene to the pentacarbocyclic hopene.,Reinert DJ, Balliano G, Schulz GE Chem Biol. 2004 Jan;11(1):121-6. PMID:15113001<ref>PMID:15113001</ref>


From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 1ump" style="background-color:#fffaf0;"></div>


==Overview==
==See Also==
The membrane protein squalene-hopene cyclase was cocrystallized with 2-azasqualene and analyzed by X-ray diffraction to 2.13 A resolution. The conformation of this close analog was clearly established, and it agreed with the common textbook presentation. The bound squalene undergoes only small conformational changes during the formation of rings A through D, thus requiring no intermediate. However, ring E formation is hindered by an entropic barrier, which may explain its absence in the steroids. The structure analysis revealed a mobile region between the active center cavity and the membrane, which may melt, opening a passage for squalene and hopene.
*[[Squalene-hopene cyclase|Squalene-hopene cyclase]]
 
== References ==
==About this Structure==
<references/>
1UMP is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Alicyclobacillus_acidocaldarius Alicyclobacillus acidocaldarius]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1UMP OCA].
__TOC__
 
</StructureSection>
==Reference==
Conversion of squalene to the pentacarbocyclic hopene., Reinert DJ, Balliano G, Schulz GE, Chem Biol. 2004 Jan;11(1):121-6. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15113001 15113001]
[[Category: Alicyclobacillus acidocaldarius]]
[[Category: Alicyclobacillus acidocaldarius]]
[[Category: Single protein]]
[[Category: Large Structures]]
[[Category: Squalene--hopene cyclase]]
[[Category: Oxidosqualene Cyclase]]
[[Category: Balliano, G.]]
[[Category: RCSB PDB Molecule of the Month]]
[[Category: Reinert, D J.]]
[[Category: Balliano G]]
[[Category: Schulz, G E.]]
[[Category: Reinert DJ]]
[[Category: cholesterol biosynthesis]]
[[Category: Schulz GE]]
[[Category: isomerase]]
[[Category: monotopic membrane protein]]
[[Category: oxidosqualene cyclase]]
[[Category: triterpene cyclase]]
 
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