1h37 - Revision history

OCA at 08:52, 9 May 2024

OCA — Thu, 09 May 2024 08:52:55 GMT

←Older revision		Revision as of 08:52, 9 May 2024
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	</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=1h37 ConSurf].		</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=1h37 ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The binding structures of 11 human oxidosqualene cyclase inhibitors designed as cholesterol-lowering agents were determined for the squalene-hopene cyclase from Alicyclobacillus acidocaldarius, which is the only structurally known homologue of the human enzyme. The complexes were produced by cocrystallization, and the structures were elucidated by X-ray diffraction analyses. All inhibitors were bound in the large active center cavity. The detailed binding structures are presented and discussed in the light of the IC50 values of these 11 as well as 17 other inhibitors. They provide a consistent picture for the inhibition of the bacterial enzyme and can be used to adjust and improve homology models of the human enzyme. The detailed active center structures of the two enzymes are too different to show an IC50 correlation.
		+
		+	Binding structures and potencies of oxidosqualene cyclase inhibitors with the homologous squalene-hopene cyclase.,Lenhart A, Reinert DJ, Aebi JD, Dehmlow H, Morand OH, Schulz GE J Med Chem. 2003 May 22;46(11):2083-92. PMID:12747780<ref>PMID:12747780</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 1h37" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Squalene-hopene cyclase\|Squalene-hopene cyclase]]		*[[Squalene-hopene cyclase\|Squalene-hopene cyclase]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 11:27, 27 March 2024

OCA — Wed, 27 Mar 2024 11:27:30 GMT

←Older revision		Revision as of 11:27, 27 March 2024
Line 3:		Line 3:
	<StructureSection load='1h37' size='340' side='right'caption='[[1h37]], [[Resolution\|resolution]] 2.80Å' scene=''>		<StructureSection load='1h37' size='340' side='right'caption='[[1h37]], [[Resolution\|resolution]] 2.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1h37]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Atcc_27009 Atcc 27009~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1H37 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1H37 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1h37]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Alicyclobacillus_acidocaldarius Alicyclobacillus acidocaldarius]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1H37 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1H37 FirstGlance]. <br>
-	</td></tr><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=R02:{4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4-BROMOPHENYL)METHANONE'>R02</scene~~></td></tr>~~	+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 2.8Å</td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1gsz\|1gsz]], [[1h35\|1h35]], [[1h36\|1h36]], [[1h39\|1h39]], [[1h3a\|1h3a]], [[1h3b\|1h3b]], [[1h3c\|1h3c]], [[1sqc\|1sqc]], [[2sqc\|2sqc]], [[3sqc\|3sqc]]</div></td></tr>	+	<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=R02:{4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4-BROMOPHENYL)METHANONE'>R02</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Squalene--hopene_cyclase Squalene--hopene cyclase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.4.99.17 5.4.99.17] </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=1h37 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h37 OCA], [https://pdbe.org/1h37 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1h37 RCSB], [https://www.ebi.ac.uk/pdbsum/1h37 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1h37 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=1h37 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h37 OCA], [https://pdbe.org/1h37 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1h37 RCSB], [https://www.ebi.ac.uk/pdbsum/1h37 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1h37 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/SQHC_ALIAD SQHC_ALIAD] Catalyzes the cyclization of squalene into hopene.
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	</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=1h37 ConSurf].		</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=1h37 ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	The binding structures of 11 human oxidosqualene cyclase inhibitors designed as cholesterol-lowering agents were determined for the squalene-hopene cyclase from Alicyclobacillus acidocaldarius, which is the only structurally known homologue of the human enzyme. The complexes were produced by cocrystallization, and the structures were elucidated by X-ray diffraction analyses. All inhibitors were bound in the large active center cavity. The detailed binding structures are presented and discussed in the light of the IC50 values of these 11 as well as 17 other inhibitors. They provide a consistent picture for the inhibition of the bacterial enzyme and can be used to adjust and improve homology models of the human enzyme. The detailed active center structures of the two enzymes are too different to show an IC50 correlation.
-
-	Binding structures and potencies of oxidosqualene cyclase inhibitors with the homologous squalene-hopene cyclase.,Lenhart A, Reinert DJ, Aebi JD, Dehmlow H, Morand OH, Schulz GE J Med Chem. 2003 May 22;46(11):2083-92. PMID:12747780<ref>PMID:12747780</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 1h37" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Squalene-hopene cyclase\|Squalene-hopene cyclase]]		*[[Squalene-hopene cyclase\|Squalene-hopene cyclase]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Atcc 27009~~]]	+	[[Category: Alicyclobacillus acidocaldarius]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Squalene--hopene cyclase]]~~	+	[[Category: Aebi JD]]
-	[[Category: Aebi~~, J D~~]]	+	[[Category: Dehmlow H]]
-	[[Category: Dehmlow, H]]	+	[[Category: Lenhart A]]
-	[[Category: Lenhart, A]]	+	[[Category: Morand OH]]
-	[[Category: Morand~~, O H~~]]	+	[[Category: Reinert DJ]]
-	[[Category: Reinert~~, D J~~]]	+	[[Category: Schulz GE]]
-	[[Category: Schulz~~, G E~~]]	+	[[Category: Weihofen WA]]
-	[[Category: Weihofen~~, W A]]~~	+
-	~~[[Category: Cholesterol biosynthesis]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Isomerase]]~~	+
-	~~[[Category: Monotopic membrane protein~~]]	+

OCA at 15:52, 22 December 2021

OCA — Wed, 22 Dec 2021 15:52:26 GMT

←Older revision		Revision as of 15:52, 22 December 2021
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	<StructureSection load='1h37' size='340' side='right'caption='[[1h37]], [[Resolution\|resolution]] 2.80Å' scene=''>		<StructureSection load='1h37' size='340' side='right'caption='[[1h37]], [[Resolution\|resolution]] 2.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1h37]] is a 3 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Atcc_27009 Atcc 27009]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1H37 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=1H37 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1h37]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Atcc_27009 Atcc 27009]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1H37 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1H37 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=C8E:(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE'>C8E</scene>, <scene name='pdbligand=R02:{4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4-BROMOPHENYL)METHANONE'>R02</scene></td></tr>	+	</td></tr><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=R02:{4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4-BROMOPHENYL)METHANONE'>R02</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1gsz\|1gsz]], [[1h35\|1h35]], [[1h36\|1h36]], [[1h39\|1h39]], [[1h3a\|1h3a]], [[1h3b\|1h3b]], [[1h3c\|1h3c]], [[1sqc\|1sqc]], [[2sqc\|2sqc]], [[3sqc\|3sqc]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1gsz\|1gsz]], [[1h35\|1h35]], [[1h36\|1h36]], [[1h39\|1h39]], [[1h3a\|1h3a]], [[1h3b\|1h3b]], [[1h3c\|1h3c]], [[1sqc\|1sqc]], [[2sqc\|2sqc]], [[3sqc\|3sqc]]</div></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><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='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Squalene--hopene_cyclase Squalene--hopene cyclase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.4.99.17 5.4.99.17] </span></td></tr>
-	<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=1h37 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h37 OCA], [~~http~~://pdbe.org/1h37 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=1h37 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/1h37 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=1h37 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=1h37 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h37 OCA], [https://pdbe.org/1h37 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1h37 RCSB], [https://www.ebi.ac.uk/pdbsum/1h37 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1h37 ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==

OCA at 10:37, 18 March 2020

OCA — Wed, 18 Mar 2020 10:37:12 GMT

←Older revision		Revision as of 10:37, 18 March 2020
Line 1:		Line 1:

	==Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme==		==Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme==
-	<StructureSection load='1h37' size='340' side='right' caption='[[1h37]], [[Resolution\|resolution]] 2.80Å' scene=''>	+	<StructureSection load='1h37' size='340' side='right'caption='[[1h37]], [[Resolution\|resolution]] 2.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1h37]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Atcc_27009 Atcc 27009]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1H37 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1H37 FirstGlance]. <br>		<table><tr><td colspan='2'>[[1h37]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Atcc_27009 Atcc 27009]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1H37 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1H37 FirstGlance]. <br>
Line 36:		Line 36:
	</StructureSection>		</StructureSection>
	[[Category: Atcc 27009]]		[[Category: Atcc 27009]]
		+	[[Category: Large Structures]]
	[[Category: Squalene--hopene cyclase]]		[[Category: Squalene--hopene cyclase]]
	[[Category: Aebi, J D]]		[[Category: Aebi, J D]]

OCA at 07:47, 14 June 2018

OCA — Thu, 14 Jun 2018 07:47:51 GMT

←Older revision		Revision as of 07:47, 14 June 2018
Line 1:		Line 1:

-	==Structures of ~~human oxidosqualene cyclase inhibitors bound~~ to ~~a homolgous enzyme~~==	+	==Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme==
	<StructureSection load='1h37' size='340' side='right' caption='[[1h37]], [[Resolution\|resolution]] 2.80Å' scene=''>		<StructureSection load='1h37' size='340' side='right' caption='[[1h37]], [[Resolution\|resolution]] 2.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
Line 28:		Line 28:
	</div>		</div>
	<div class="pdbe-citations 1h37" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 1h37" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Squalene-hopene cyclase\|Squalene-hopene cyclase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 06:19, 3 January 2018

OCA — Wed, 03 Jan 2018 06:19:55 GMT

←Older revision		Revision as of 06:19, 3 January 2018
Line 1:		Line 1:
		+
	==Structures of human oxidosqualene cyclase inhibitors bound to a homolgous enzyme==		==Structures of human oxidosqualene cyclase inhibitors bound to a homolgous enzyme==
	<StructureSection load='1h37' size='340' side='right' caption='[[1h37]], [[Resolution\|resolution]] 2.80Å' scene=''>		<StructureSection load='1h37' size='340' side='right' caption='[[1h37]], [[Resolution\|resolution]] 2.80Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1gsz\|1gsz]], [[1h35\|1h35]], [[1h36\|1h36]], [[1h39\|1h39]], [[1h3a\|1h3a]], [[1h3b\|1h3b]], [[1h3c\|1h3c]], [[1sqc\|1sqc]], [[2sqc\|2sqc]], [[3sqc\|3sqc]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1gsz\|1gsz]], [[1h35\|1h35]], [[1h36\|1h36]], [[1h39\|1h39]], [[1h3a\|1h3a]], [[1h3b\|1h3b]], [[1h3c\|1h3c]], [[1sqc\|1sqc]], [[2sqc\|2sqc]], [[3sqc\|3sqc]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><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='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><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='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=1h37 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h37 OCA], [http://pdbe.org/1h37 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1h37 RCSB], [http://www.ebi.ac.uk/pdbsum/1h37 PDBsum]</span></td></tr>	+	<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=1h37 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h37 OCA], [http://pdbe.org/1h37 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1h37 RCSB], [http://www.ebi.ac.uk/pdbsum/1h37 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1h37 ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 12:		Line 13:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/h3/1h37_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/h3/1h37_consurf.spt"</scriptWhenChecked>
	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>		<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
Line 27:		Line 28:
	</div>		</div>
	<div class="pdbe-citations 1h37" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 1h37" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Squalene-hopene cyclase\|Squalene-hopene cyclase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 22:59, 8 February 2016

OCA — Mon, 08 Feb 2016 22:59:42 GMT

←Older revision		Revision as of 22:59, 8 February 2016
Line 16:		Line 16:
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
	</jmolCheckbox>		</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/~~chain_selection~~.php?pdb_ID=~~2ata~~ ConSurf].	+	</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=1h37 ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 16:11, 10 September 2015

OCA — Thu, 10 Sep 2015 16:11:08 GMT

←Older revision		Revision as of 16:11, 10 September 2015
Line 6:		Line 6:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1gsz\|1gsz]], [[1h35\|1h35]], [[1h36\|1h36]], [[1h39\|1h39]], [[1h3a\|1h3a]], [[1h3b\|1h3b]], [[1h3c\|1h3c]], [[1sqc\|1sqc]], [[2sqc\|2sqc]], [[3sqc\|3sqc]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1gsz\|1gsz]], [[1h35\|1h35]], [[1h36\|1h36]], [[1h39\|1h39]], [[1h3a\|1h3a]], [[1h3b\|1h3b]], [[1h3c\|1h3c]], [[1sqc\|1sqc]], [[2sqc\|2sqc]], [[3sqc\|3sqc]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><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='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><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='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=1h37 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h37 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1h37 RCSB], [http://www.ebi.ac.uk/pdbsum/1h37 PDBsum]</span></td></tr>	+	<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=1h37 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h37 OCA], [http://pdbe.org/1h37 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1h37 RCSB], [http://www.ebi.ac.uk/pdbsum/1h37 PDBsum]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 26:		Line 26:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 1h37" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==

OCA at 18:20, 22 December 2014

OCA — Mon, 22 Dec 2014 18:20:55 GMT

←Older revision		Revision as of 18:20, 22 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1h37]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Atcc_27009 Atcc 27009]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1H37 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1H37 FirstGlance]. <br>		<table><tr><td colspan='2'>[[1h37]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Atcc_27009 Atcc 27009]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1H37 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1H37 FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=C8E:(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE'>C8E</scene>, <scene name='pdbligand=R02:{4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4-BROMOPHENYL)METHANONE'>R02</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=C8E:(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE'>C8E</scene>, <scene name='pdbligand=R02:{4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4-BROMOPHENYL)METHANONE'>R02</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1gsz\|1gsz]], [[1h35\|1h35]], [[1h36\|1h36]], [[1h39\|1h39]], [[1h3a\|1h3a]], [[1h3b\|1h3b]], [[1h3c\|1h3c]], [[1sqc\|1sqc]], [[2sqc\|2sqc]], [[3sqc\|3sqc]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1gsz\|1gsz]], [[1h35\|1h35]], [[1h36\|1h36]], [[1h39\|1h39]], [[1h3a\|1h3a]], [[1h3b\|1h3b]], [[1h3c\|1h3c]], [[1sqc\|1sqc]], [[2sqc\|2sqc]], [[3sqc\|3sqc]]</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><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='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><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><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1h37 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h37 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1h37 RCSB], [http://www.ebi.ac.uk/pdbsum/1h37 PDBsum]</span></td></tr>	+	<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=1h37 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h37 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1h37 RCSB], [http://www.ebi.ac.uk/pdbsum/1h37 PDBsum]</span></td></tr>
-	<table>	+	</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 35:		Line 35:
	[[Category: Atcc 27009]]		[[Category: Atcc 27009]]
	[[Category: Squalene--hopene cyclase]]		[[Category: Squalene--hopene cyclase]]
-	[[Category: Aebi, J D.]]	+	[[Category: Aebi, J D]]
-	[[Category: Dehmlow, H.]]	+	[[Category: Dehmlow, H]]
-	[[Category: Lenhart, A.]]	+	[[Category: Lenhart, A]]
-	[[Category: Morand, O H.]]	+	[[Category: Morand, O H]]
-	[[Category: Reinert, D J.]]	+	[[Category: Reinert, D J]]
-	[[Category: Schulz, G E.]]	+	[[Category: Schulz, G E]]
-	[[Category: Weihofen, W A.]]	+	[[Category: Weihofen, W A]]
	[[Category: Cholesterol biosynthesis]]		[[Category: Cholesterol biosynthesis]]
	[[Category: Inhibitor]]		[[Category: Inhibitor]]
	[[Category: Isomerase]]		[[Category: Isomerase]]
	[[Category: Monotopic membrane protein]]		[[Category: Monotopic membrane protein]]

OCA at 05:16, 3 October 2014

OCA — Fri, 03 Oct 2014 05:16:16 GMT

←Older revision		Revision as of 05:16, 3 October 2014
Line 1:		Line 1:
-	~~{{STRUCTURE_1h37\| PDB=1h37 \| SCENE= }}~~	+	==Structures of human oxidosqualene cyclase inhibitors bound to a homolgous enzyme==
-	===Structures of human oxidosqualene cyclase inhibitors bound to a homolgous enzyme===	+	<StructureSection load='1h37' size='340' side='right' caption='[[1h37]], [[Resolution\|resolution]] 2.80Å' scene=''>
-	{{~~ABSTRACT_PUBMED_12747780~~}}	+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[1h37]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Atcc_27009 Atcc 27009]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1H37 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1H37 FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=C8E:(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE'>C8E</scene>, <scene name='pdbligand=R02:{4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4-BROMOPHENYL)METHANONE'>R02</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1gsz\|1gsz]], [[1h35\|1h35]], [[1h36\|1h36]], [[1h39\|1h39]], [[1h3a\|1h3a]], [[1h3b\|1h3b]], [[1h3c\|1h3c]], [[1sqc\|1sqc]], [[2sqc\|2sqc]], [[3sqc\|3sqc]]</td></tr>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><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><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1h37 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h37 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1h37 RCSB], [http://www.ebi.ac.uk/pdbsum/1h37 PDBsum]</span></td></tr>
		+	<table>
		+	== 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/h3/1h37_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/chain_selection.php?pdb_ID=2ata ConSurf].
		+	<div style="clear:both"></div>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The binding structures of 11 human oxidosqualene cyclase inhibitors designed as cholesterol-lowering agents were determined for the squalene-hopene cyclase from Alicyclobacillus acidocaldarius, which is the only structurally known homologue of the human enzyme. The complexes were produced by cocrystallization, and the structures were elucidated by X-ray diffraction analyses. All inhibitors were bound in the large active center cavity. The detailed binding structures are presented and discussed in the light of the IC50 values of these 11 as well as 17 other inhibitors. They provide a consistent picture for the inhibition of the bacterial enzyme and can be used to adjust and improve homology models of the human enzyme. The detailed active center structures of the two enzymes are too different to show an IC50 correlation.

-	~~==About this Structure==~~	+	Binding structures and potencies of oxidosqualene cyclase inhibitors with the homologous squalene-hopene cyclase.,Lenhart A, Reinert DJ, Aebi JD, Dehmlow H, Morand OH, Schulz GE J Med Chem. 2003 May 22;46(11):2083-92. PMID:12747780<ref>PMID:12747780</ref>
-	~~[[1h37]] is a 3 chain structure~~ with ~~sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Atcc_27009 Atcc 27009]~~. ~~Full crystallographic information is available from [http~~:/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=1H37 OCA].~~	+

-	==~~Reference~~==	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~<ref group~~=~~"xtra">PMID:012747780</ref>~~<references ~~group="xtra"~~/><~~references~~/>	+	</div>
		+
		+	==See Also==
		+	*[[Squalene-hopene cyclase\|Squalene-hopene cyclase]]
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Atcc 27009]]		[[Category: Atcc 27009]]
	[[Category: Squalene--hopene cyclase]]		[[Category: Squalene--hopene cyclase]]