4wnw - Revision history

OCA at 07:34, 27 September 2023

OCA — Wed, 27 Sep 2023 07:34:17 GMT

←Older revision		Revision as of 07:34, 27 September 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4wnw]] 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=4WNW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4WNW FirstGlance]. <br>		<table><tr><td colspan='2'>[[4wnw]] 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=4WNW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4WNW FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=RTZ:10-{2-[(2R)-1-METHYLPIPERIDIN-2-YL]ETHYL}-2-(METHYLSULFANYL)-10H-PHENOTHIAZINE'>RTZ</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]] 3.299Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=RTZ:10-{2-[(2R)-1-METHYLPIPERIDIN-2-YL]ETHYL}-2-(METHYLSULFANYL)-10H-PHENOTHIAZINE'>RTZ</scene></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=4wnw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wnw OCA], [https://pdbe.org/4wnw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4wnw RCSB], [https://www.ebi.ac.uk/pdbsum/4wnw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4wnw 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=4wnw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wnw OCA], [https://pdbe.org/4wnw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4wnw RCSB], [https://www.ebi.ac.uk/pdbsum/4wnw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4wnw ProSAT]</span></td></tr>
	</table>		</table>

OCA at 07:17, 7 April 2023

OCA — Fri, 07 Apr 2023 07:17:44 GMT

←Older revision		Revision as of 07:17, 7 April 2023
Line 3:		Line 3:
	<StructureSection load='4wnw' size='340' side='right'caption='[[4wnw]], [[Resolution\|resolution]] 3.30Å' scene=''>		<StructureSection load='4wnw' size='340' side='right'caption='[[4wnw]], [[Resolution\|resolution]] 3.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4wnw]] 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=4WNW OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4WNW FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4wnw]] 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=4WNW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4WNW FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=RTZ:10-{2-[(2R)-1-METHYLPIPERIDIN-2-YL]ETHYL}-2-(METHYLSULFANYL)-10H-PHENOTHIAZINE'>RTZ</scene~~></td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=RTZ:10-{2-[(2R)-1-METHYLPIPERIDIN-2-YL]ETHYL}-2-(METHYLSULFANYL)-10H-PHENOTHIAZINE'>RTZ</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3qm4\|3qm4]], [[3tbg\|3tbg]], [[3tda\|3tda]], [[2f9q\|2f9q]], [[4wnv\|4wnv]], [[4wnu\|4wnu]], [[4wnt\|4wnt]]</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=4wnw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wnw OCA], [https://pdbe.org/4wnw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4wnw RCSB], [https://www.ebi.ac.uk/pdbsum/4wnw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4wnw ProSAT]</span></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CYP2D6, CYP2DL1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>	+
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Unspecific_monooxygenase Unspecific monooxygenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.14.1 1.14.14.1] </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=4wnw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wnw OCA], [~~http~~://pdbe.org/4wnw PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4wnw RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4wnw PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4wnw ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/CP2D6_HUMAN CP2D6_HUMAN]] Responsible for the metabolism of many drugs and environmental chemicals that it oxidizes. It is involved in the metabolism of drugs such as antiarrhythmics, adrenoceptor antagonists, and tricyclic antidepressants.<ref>PMID:16352597</ref>	+	[https://www.uniprot.org/uniprot/CP2D6_HUMAN CP2D6_HUMAN] Responsible for the metabolism of many drugs and environmental chemicals that it oxidizes. It is involved in the metabolism of drugs such as antiarrhythmics, adrenoceptor antagonists, and tricyclic antidepressants.<ref>PMID:16352597</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 28:		Line 25:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Unspecific monooxygenase]]~~	+	[[Category: Johnson EF]]
-	[[Category: Johnson~~, E F~~]]	+	[[Category: Stout CD]]
-	[[Category: Stout~~, C D~~]]	+	[[Category: Wang A]]
-	[[Category: Wang, A]]	+
-	~~[[Category: Cyp2d6]]~~	+
-	~~[[Category: Monooxygenase]]~~	+
-	~~[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]~~	+
-	~~[[Category: P450]]~~	+
-	~~[[Category: P450 2d6~~]]	+

OCA at 10:30, 25 December 2019

OCA — Wed, 25 Dec 2019 10:30:45 GMT

←Older revision		Revision as of 10:30, 25 December 2019
Line 1:		Line 1:

	==Human Cytochrome P450 2D6 Thioridazine Complex==		==Human Cytochrome P450 2D6 Thioridazine Complex==
-	<StructureSection load='4wnw' size='340' side='right' caption='[[4wnw]], [[Resolution\|resolution]] 3.30Å' scene=''>	+	<StructureSection load='4wnw' size='340' side='right'caption='[[4wnw]], [[Resolution\|resolution]] 3.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4wnw]] 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=4WNW OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4WNW FirstGlance]. <br>		<table><tr><td colspan='2'>[[4wnw]] 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=4WNW OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4WNW FirstGlance]. <br>
Line 21:		Line 21:
	</div>		</div>
	<div class="pdbe-citations 4wnw" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4wnw" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Cytochrome P450 3D structures\|Cytochrome P450 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 26:		Line 29:
	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Unspecific monooxygenase]]		[[Category: Unspecific monooxygenase]]
	[[Category: Johnson, E F]]		[[Category: Johnson, E F]]

OCA at 09:27, 22 November 2017

OCA — Wed, 22 Nov 2017 09:27:46 GMT

←Older revision		Revision as of 09:27, 22 November 2017
Line 3:		Line 3:
	<StructureSection load='4wnw' size='340' side='right' caption='[[4wnw]], [[Resolution\|resolution]] 3.30Å' scene=''>		<StructureSection load='4wnw' size='340' side='right' caption='[[4wnw]], [[Resolution\|resolution]] 3.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4wnw]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4WNW OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4WNW FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4wnw]] 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=4WNW OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4WNW FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=RTZ:10-{2-[(2R)-1-METHYLPIPERIDIN-2-YL]ETHYL}-2-(METHYLSULFANYL)-10H-PHENOTHIAZINE'>RTZ</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=RTZ:10-{2-[(2R)-1-METHYLPIPERIDIN-2-YL]ETHYL}-2-(METHYLSULFANYL)-10H-PHENOTHIAZINE'>RTZ</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3qm4\|3qm4]], [[3tbg\|3tbg]], [[3tda\|3tda]], [[2f9q\|2f9q]], [[4wnv\|4wnv]], [[4wnu\|4wnu]], [[4wnt\|4wnt]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3qm4\|3qm4]], [[3tbg\|3tbg]], [[3tda\|3tda]], [[2f9q\|2f9q]], [[4wnv\|4wnv]], [[4wnu\|4wnu]], [[4wnt\|4wnt]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CYP2D6, CYP2DL1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Unspecific_monooxygenase Unspecific monooxygenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.14.1 1.14.14.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Unspecific_monooxygenase Unspecific monooxygenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.14.1 1.14.14.1] </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=4wnw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wnw OCA], [http://pdbe.org/4wnw PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4wnw RCSB], [http://www.ebi.ac.uk/pdbsum/4wnw PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4wnw ProSAT]</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=4wnw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wnw OCA], [http://pdbe.org/4wnw PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4wnw RCSB], [http://www.ebi.ac.uk/pdbsum/4wnw PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4wnw ProSAT]</span></td></tr>
Line 20:		Line 21:
	</div>		</div>
	<div class="pdbe-citations 4wnw" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4wnw" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Cytochrome P450\|Cytochrome P450]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
	[[Category: Unspecific monooxygenase]]		[[Category: Unspecific monooxygenase]]
	[[Category: Johnson, E F]]		[[Category: Johnson, E F]]

OCA at 00:13, 26 January 2017

OCA — Thu, 26 Jan 2017 00:13:49 GMT

←Older revision		Revision as of 00:13, 26 January 2017
Line 1:		Line 1:
		+
	==Human Cytochrome P450 2D6 Thioridazine Complex==		==Human Cytochrome P450 2D6 Thioridazine Complex==
	<StructureSection load='4wnw' size='340' side='right' caption='[[4wnw]], [[Resolution\|resolution]] 3.30Å' scene=''>		<StructureSection load='4wnw' size='340' side='right' caption='[[4wnw]], [[Resolution\|resolution]] 3.30Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3qm4\|3qm4]], [[3tbg\|3tbg]], [[3tda\|3tda]], [[2f9q\|2f9q]], [[4wnv\|4wnv]], [[4wnu\|4wnu]], [[4wnt\|4wnt]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3qm4\|3qm4]], [[3tbg\|3tbg]], [[3tda\|3tda]], [[2f9q\|2f9q]], [[4wnv\|4wnv]], [[4wnu\|4wnu]], [[4wnt\|4wnt]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Unspecific_monooxygenase Unspecific monooxygenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.14.1 1.14.14.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Unspecific_monooxygenase Unspecific monooxygenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.14.1 1.14.14.1] </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=4wnw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wnw OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4wnw RCSB], [http://www.ebi.ac.uk/pdbsum/4wnw 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=4wnw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wnw OCA], [http://pdbe.org/4wnw PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4wnw RCSB], [http://www.ebi.ac.uk/pdbsum/4wnw PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4wnw ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 19:
	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 4wnw" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Cytochrome P450\|Cytochrome P450]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 11:17, 21 January 2015

OCA — Wed, 21 Jan 2015 11:17:16 GMT

←Older revision		Revision as of 11:17, 21 January 2015
Line 10:		Line 10:
	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/CP2D6_HUMAN CP2D6_HUMAN]] Responsible for the metabolism of many drugs and environmental chemicals that it oxidizes. It is involved in the metabolism of drugs such as antiarrhythmics, adrenoceptor antagonists, and tricyclic antidepressants.<ref>PMID:16352597</ref>		[[http://www.uniprot.org/uniprot/CP2D6_HUMAN CP2D6_HUMAN]] Responsible for the metabolism of many drugs and environmental chemicals that it oxidizes. It is involved in the metabolism of drugs such as antiarrhythmics, adrenoceptor antagonists, and tricyclic antidepressants.<ref>PMID:16352597</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	P450 2D6 contributes significantly to the metabolism of > 15% of the 200 most marketed drugs. Open and closed crystal structures of P450 2D6 thioridazine complexes were obtained using different crystallization conditions. The protonated piperadine moiety of thioridazine forms a charge stabilized hydrogen bond with Asp301 in the active sites of both complexes. The more open conformation exhibits a second molecule of thioridazine bound in an expanded substrate access channel antechamber with its piperidine moiety forming a charge stabilized hydrogen bond with Glu222. Incubation of the crystalline open thioridazine complex with alternative ligands, prinomastat, quinidine, quinine or ajmalicine displaced thioridazine. Quinine and ajmalicine formed charge stabilized hydrogen bonds with Glu216, whereas the protonated nitrogen of quinidine is equidistant from Asp301 and Glu216 with protonated nitrogen H-bonded to a water molecule in the access channel. Prinomastat is not ionized. Adaptations of active site side chain rotamers and polypeptide conformations were evident between the complexes, with the binding of ajmalicine eliciting a closure of the open structure reflecting in part the inward movement of Glu216 to form a hydrogen bond with ajmalicine as well as sparse lattice restraints that would hinder adaptations. These results indicate that P450 2D6 exhibits sufficient elasticity within the crystal lattice to allow the passage of compounds between the active site and bulk solvent and to adopt a more closed form that adapts for binding alternative ligands with different degrees of closure. These crystals provide a means to characterize substrate and inhibitor binding to the enzyme following replacement of thioridazine with alternative compounds.
		+
		+	Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6)Substrate and Inhibitor Binding.,Wang A, Stout CD, Zhang Q, Johnson EF J Biol Chem. 2015 Jan 1. pii: jbc.M114.627661. PMID:25555909<ref>PMID:25555909</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 13:48, 14 January 2015

OCA — Wed, 14 Jan 2015 13:48:09 GMT

←Older revision		Revision as of 13:48, 14 January 2015
Line 1:		Line 1:
-	'''~~Unreleased structure~~'''	+	==Human Cytochrome P450 2D6 Thioridazine Complex==
-		+	<StructureSection load='4wnw' size='340' side='right' caption='[[4wnw]], [[Resolution\|resolution]] 3.30Å' scene=''>
-	~~The entry~~ 4wnw is ~~ON HOLD until Paper Publication~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[4wnw]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4WNW OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4WNW FirstGlance]. <br>
-	~~Authors~~: ~~Wang~~, A., ~~Stout~~, C.D., ~~Johnson~~, E.F.	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=RTZ:10-{2-[(2R)-1-METHYLPIPERIDIN-2-YL]ETHYL}-2-(METHYLSULFANYL)-10H-PHENOTHIAZINE'>RTZ</scene></td></tr>
-		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3qm4\|3qm4]], [[3tbg\|3tbg]], [[3tda\|3tda]], [[2f9q\|2f9q]], [[4wnv\|4wnv]], [[4wnu\|4wnu]], [[4wnt\|4wnt]]</td></tr>
-	~~Description~~: ~~Human Cytochrome P450 2D6 Thioridazine Complex~~	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Unspecific_monooxygenase Unspecific monooxygenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.14.1 1.14.14.1] </span></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	<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=4wnw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wnw OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4wnw RCSB], [http://www.ebi.ac.uk/pdbsum/4wnw PDBsum]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/CP2D6_HUMAN CP2D6_HUMAN]] Responsible for the metabolism of many drugs and environmental chemicals that it oxidizes. It is involved in the metabolism of drugs such as antiarrhythmics, adrenoceptor antagonists, and tricyclic antidepressants.<ref>PMID:16352597</ref>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Unspecific monooxygenase]]
		+	[[Category: Johnson, E F]]
		+	[[Category: Stout, C D]]
	[[Category: Wang, A]]		[[Category: Wang, A]]
-	[[Category: ~~Stout, C.D~~]]	+	[[Category: Cyp2d6]]
-	[[Category: ~~Johnson, E.F~~]]	+	[[Category: Monooxygenase]]
		+	[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]
		+	[[Category: P450]]
		+	[[Category: P450 2d6]]

OCA at 19:45, 24 December 2014

OCA — Wed, 24 Dec 2014 19:45:04 GMT

←Older revision		Revision as of 19:45, 24 December 2014
Line 6:		Line 6:

	Description: Human Cytochrome P450 2D6 Thioridazine Complex		Description: Human Cytochrome P450 2D6 Thioridazine Complex
		+	[[Category: Unreleased Structures]]
		+	[[Category: Wang, A]]
		+	[[Category: Stout, C.D]]
		+	[[Category: Johnson, E.F]]

OCA: Protected "4wnw" [edit=sysop:move=sysop]

OCA — Wed, 22 Oct 2014 10:22:14 GMT

Protected "4wnw" [edit=sysop:move=sysop]

←Older revision

Revision as of 10:22, 22 October 2014

OCA: New page: '''Unreleased structure''' The entry 4wnw is ON HOLD until Paper Publication Authors: Wang, A., Stout, C.D., Johnson, E.F. Description: Human Cytochrome P450 2D6 Thioridazine Complex

OCA — Wed, 22 Oct 2014 10:22:13 GMT

New page: '''Unreleased structure''' The entry 4wnw is ON HOLD until Paper Publication Authors: Wang, A., Stout, C.D., Johnson, E.F. Description: Human Cytochrome P450 2D6 Thioridazine Complex

New page

'''Unreleased structure'''

The entry 4wnw is ON HOLD until Paper Publication

Authors: Wang, A., Stout, C.D., Johnson, E.F.

Description: Human Cytochrome P450 2D6 Thioridazine Complex