1tqa - Revision history

OCA at 09:31, 29 September 2021

OCA — Wed, 29 Sep 2021 09:31:18 GMT

←Older revision		Revision as of 09:31, 29 September 2021
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	<StructureSection load='1tqa' size='340' side='right'caption='[[1tqa]]' scene=''>		<StructureSection load='1tqa' size='340' side='right'caption='[[1tqa]]' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=1TQA FirstGlance]. <br>	+	<table><tr><td colspan='2'>For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1TQA FirstGlance]. <br>
-	</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=1tqa FirstGlance], [~~http~~://www.ebi.ac.uk/pdbsum/1tqa PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=1tqa ProSAT]</span></td></tr>	+	</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=1tqa FirstGlance], [https://www.ebi.ac.uk/pdbsum/1tqa PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1tqa ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 13:38, 25 December 2019

OCA — Wed, 25 Dec 2019 13:38:03 GMT

←Older revision		Revision as of 13:38, 25 December 2019
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	==COMPARATIVE MODELING OF THE CYTOCHROME P450 AROMATASE==		==COMPARATIVE MODELING OF THE CYTOCHROME P450 AROMATASE==
-	<StructureSection load='1tqa' size='340' side='right' caption='[[1tqa]]' scene=''>	+	<StructureSection load='1tqa' size='340' side='right'caption='[[1tqa]]' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1TQA FirstGlance]. <br>		<table><tr><td colspan='2'>For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1TQA FirstGlance]. <br>
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	</StructureSection>		</StructureSection>
	[[Category: Theoretical Model]]		[[Category: Theoretical Model]]
		+	[[Category: Large Structures]]
	[[Category: Carotti, A]]		[[Category: Carotti, A]]
	[[Category: Cavalli, A]]		[[Category: Cavalli, A]]
	[[Category: Favia, A D]]		[[Category: Favia, A D]]
	[[Category: Recanatini, M]]		[[Category: Recanatini, M]]

OCA at 08:29, 21 March 2018

OCA — Wed, 21 Mar 2018 08:29:28 GMT

←Older revision		Revision as of 08:29, 21 March 2018
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1TQA FirstGlance]. <br>		<table><tr><td colspan='2'>For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1TQA FirstGlance]. <br>
-	</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=1tqa FirstGlance], [http://www.ebi.ac.uk/pdbsum/1tqa PDBsum]</span></td></tr>	+	</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=1tqa FirstGlance], [http://www.ebi.ac.uk/pdbsum/1tqa PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1tqa ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
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	</div>		</div>
	<div class="pdbe-citations 1tqa" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 1tqa" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Myocyte enhancer factor 2\|Myocyte enhancer factor 2]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 09:55, 11 February 2016

OCA — Thu, 11 Feb 2016 09:55:58 GMT

←Older revision		Revision as of 09:55, 11 February 2016
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		+	{{Theoretical_model}}
		+
	==COMPARATIVE MODELING OF THE CYTOCHROME P450 AROMATASE==		==COMPARATIVE MODELING OF THE CYTOCHROME P450 AROMATASE==
	<StructureSection load='1tqa' size='340' side='right' caption='[[1tqa]]' scene=''>		<StructureSection load='1tqa' size='340' side='right' caption='[[1tqa]]' scene=''>
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Theoretical Model]]
	[[Category: Carotti, A]]		[[Category: Carotti, A]]
	[[Category: Cavalli, A]]		[[Category: Cavalli, A]]
	[[Category: Favia, A D]]		[[Category: Favia, A D]]
	[[Category: Recanatini, M]]		[[Category: Recanatini, M]]

OCA at 03:49, 11 September 2015

OCA — Fri, 11 Sep 2015 03:49:47 GMT

←Older revision		Revision as of 03:49, 11 September 2015
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	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 1tqa" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 11:40, 18 December 2014

OCA — Thu, 18 Dec 2014 11:40:22 GMT

←Older revision		Revision as of 11:40, 18 December 2014
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-	~~{{Theoretical_model}}~~	+	==COMPARATIVE MODELING OF THE CYTOCHROME P450 AROMATASE==
		+	<StructureSection load='1tqa' size='340' side='right' caption='[[1tqa]]' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1TQA FirstGlance]. <br>
		+	</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=1tqa FirstGlance], [http://www.ebi.ac.uk/pdbsum/1tqa PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Mammalian cytochromes P450 (CYP) are enzymes of great biological and pharmaco-toxicological relevance. Due to their membrane-bound nature, the structural characterization of these proteins is extremely difficult, and therefore computational techniques, such as comparative modeling, may help obtaining reliable structures of members of this family. An important feature of CYP is the presence of an iron-containing porphyrin group at the enzyme active site. This calls for quantum chemical calculations to derive charges and parameters suitable for classical force field-based investigations of this proteins family. In this report, we first carried out density functional theory (DFT) computations to derive suitable charges for the Fe2+-containing heme group of P450 enzymes. Then, by means of the homology modeling technique, and taking advantage of the recently published crystal structure of the human CYP2C9, we built a new model of the human aromatase (CYP19) enzyme. Furthermore, to study the thermal stability of the new model as well as to test the suitability of the new DFT-based heme parameters, molecular dynamics (MD) simulations were carried out on both CYP2C9 and CYP19. Finally, the last few ns of aromatase MD trajectories were investigated following the essential dynamics protocol that allowed the detection of some correlated motions among some protein domains.

-	~~{{STRUCTURE_1tqa\| PDB=1tqa \| SCENE= }}~~	+	Three-dimensional model of the human aromatase enzyme and density functional parameterization of the iron-containing protoporphyrin IX for a molecular dynamics study of heme-cysteinato cytochromes.,Favia AD, Cavalli A, Masetti M, Carotti A, Recanatini M Proteins. 2006 Mar 1;62(4):1074-87. PMID:16395678<ref>PMID:16395678</ref>
-	~~===COMPARATIVE MODELING OF THE CYTOCHROME P450 AROMATASE===~~	+
-	~~{{ABSTRACT_PUBMED_16395678}}~~	+

-	==~~Reference~~==	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~<ref group="xtra">PMID:016395678</ref>~~<references ~~group="xtra"~~/><~~references~~/>	+	</div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Carotti, A]]		[[Category: Carotti, A]]
	[[Category: Cavalli, A]]		[[Category: Cavalli, A]]
	[[Category: Favia, A D]]		[[Category: Favia, A D]]
	[[Category: Recanatini, M]]		[[Category: Recanatini, M]]

OCA at 21:44, 24 March 2013

OCA — Sun, 24 Mar 2013 21:44:42 GMT

←Older revision		Revision as of 21:44, 24 March 2013
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	{{Theoretical_model}}		{{Theoretical_model}}
-
-	[[Image:1tqa.png\|left\|200px]]

	{{STRUCTURE_1tqa\| PDB=1tqa \| SCENE= }}		{{STRUCTURE_1tqa\| PDB=1tqa \| SCENE= }}
-
	===COMPARATIVE MODELING OF THE CYTOCHROME P450 AROMATASE===		===COMPARATIVE MODELING OF THE CYTOCHROME P450 AROMATASE===
-
	{{ABSTRACT_PUBMED_16395678}}		{{ABSTRACT_PUBMED_16395678}}

	==Reference==		==Reference==
-	<ref group="xtra">PMID:016395678</ref><references group="xtra"/>	+	<ref group="xtra">PMID:016395678</ref><references group="xtra"/><references/>
	[[Category: Carotti, A]]		[[Category: Carotti, A]]
	[[Category: Cavalli, A]]		[[Category: Cavalli, A]]
	[[Category: Favia, A D]]		[[Category: Favia, A D]]
	[[Category: Recanatini, M]]		[[Category: Recanatini, M]]

OCA: Protected "1tqa" [edit=sysop:move=sysop]

OCA — Sun, 21 Oct 2012 09:32:04 GMT

Protected "1tqa" [edit=sysop:move=sysop]

←Older revision

Revision as of 09:32, 21 October 2012

OCA at 09:32, 21 October 2012

OCA — Sun, 21 Oct 2012 09:32:02 GMT

←Older revision		Revision as of 09:32, 21 October 2012
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	{{Theoretical_model}}		{{Theoretical_model}}
-	~~{{Seed}}~~	+
	[[Image:1tqa.png\|left\|200px]]		[[Image:1tqa.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_1tqa", creates the "Structure Box" on the page.
-	You may change the PDB parameter (which sets the PDB file loaded into the applet)
-	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-	or leave the SCENE parameter empty for the default display.
-	-->
	{{STRUCTURE_1tqa\| PDB=1tqa \| SCENE= }}		{{STRUCTURE_1tqa\| PDB=1tqa \| SCENE= }}

	===COMPARATIVE MODELING OF THE CYTOCHROME P450 AROMATASE===		===COMPARATIVE MODELING OF THE CYTOCHROME P450 AROMATASE===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_16395678}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 16395678 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_16395678}}		{{ABSTRACT_PUBMED_16395678}}
-
-	==About this Structure==
-	Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1TQA OCA].

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~16395678~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:016395678</ref><references group="xtra"/>
	[[Category: Carotti, A]]		[[Category: Carotti, A]]
	[[Category: Cavalli, A]]		[[Category: Cavalli, A]]
	[[Category: Favia, A D]]		[[Category: Favia, A D]]
	[[Category: Recanatini, M]]		[[Category: Recanatini, M]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Apr 8 08:30:34 2010''

OCA at 05:30, 8 April 2010

OCA — Thu, 08 Apr 2010 05:30:35 GMT

←Older revision		Revision as of 05:30, 8 April 2010
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-	~~'''Theoretical Model'''~~	+	{{Theoretical_model}}
		+	{{Seed}}
		+	[[Image:1tqa.png\|left\|200px]]

-	The ~~entry 1TQA~~ is ~~a Theoretical Model titled 'Comparative Modeling of~~ the ~~Cytochrome P450 Aromatase'~~.	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_1tqa", creates the "Structure Box" on the page.
		+	You may change the PDB parameter (which sets the PDB file loaded into the applet)
		+	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
		+	or leave the SCENE parameter empty for the default display.
		+	-->
		+	{{STRUCTURE_1tqa\| PDB=1tqa \| SCENE= }}

-	~~[[Category:Theoretical Model]]~~	+	===COMPARATIVE MODELING OF THE CYTOCHROME P450 AROMATASE===


-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Wed Jul 30 09~~:53:~~44 2008~~''	+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_16395678}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 16395678 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_16395678}}
		+
		+	==About this Structure==
		+	Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1TQA OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:16395678</ref><references group="xtra"/>
		+	[[Category: Carotti, A]]
		+	[[Category: Cavalli, A]]
		+	[[Category: Favia, A D]]
		+	[[Category: Recanatini, M]]
		+
		+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Apr 8 08:30:34 2010''