4rql - Revision history

OCA at 12:54, 1 March 2024

OCA — Fri, 01 Mar 2024 12:54:49 GMT

←Older revision		Revision as of 12:54, 1 March 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4rql]] 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=4RQL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4RQL FirstGlance]. <br>		<table><tr><td colspan='2'>[[4rql]] 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=4RQL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4RQL FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CM5:5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE'>CM5</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=SNE:SABINENE'>SNE</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]] 2.105Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CM5:5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE'>CM5</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=SNE:SABINENE'>SNE</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=4rql FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rql OCA], [https://pdbe.org/4rql PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4rql RCSB], [https://www.ebi.ac.uk/pdbsum/4rql PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4rql 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=4rql FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rql OCA], [https://pdbe.org/4rql PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4rql RCSB], [https://www.ebi.ac.uk/pdbsum/4rql PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4rql ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[https://www.uniprot.org/uniprot/CP2B6_HUMAN CP2B6_HUMAN] Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Acts as a 1,4-cineole 2-exo-monooxygenase.<ref>PMID:11695850</ref>		[https://www.uniprot.org/uniprot/CP2B6_HUMAN CP2B6_HUMAN] Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Acts as a 1,4-cineole 2-exo-monooxygenase.<ref>PMID:11695850</ref>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	X-ray crystal structures of complexes of CYP2B6 and CYP2A6 with the monoterpene sabinene revealed two distinct binding modes in the active sites. In CYP2B6, sabinene positioned itself with the putative oxidation site located closer to the heme iron. In contrast, sabinene was found in an alternate conformation in the more compact CYP2A6, where the larger hydrophobic side chains resulted in a significantly reduced active site cavity. Furthermore, results from isothermal titration calorimetry indicated a much more substantial contribution of favorable enthalpy to sabinene binding to CYP2B6 as opposed to CYP2A6, consistent with the previous observations with (+)-alpha-pinene. Structural analysis of CYP2B6 complexes with sabinene and the structurally similar (3)-carene and comparison with previously solved structures revealed how the movement of the F206 side chain influences the volume of the binding pocket. In addition, retrospective analysis of prior structures revealed that ligands containing -Cl and -NH functional groups adopted a distinct orientation in the CYP2B active site compared with other ligands. This binding mode may reflect the formation of Cl-pi or NH-pi bonds with aromatic rings in the active site, which serve as important contributors to protein-ligand binding affinity and specificity. Overall, the findings from multiple techniques illustrate how drug metabolizing CYP2B6 and CYP2A6 handle a common hydrocarbon found in the environment. The study also provides insight into the role of specific functional groups of the ligand that may influence the binding to CYP2B6.
-
-	Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison.,Shah MB, Wilderman PR, Liu J, Jang HH, Zhang Q, Stout CD, Halpert JR Mol Pharmacol. 2015 Jan 13. pii: mol.114.097014. PMID:25585967<ref>PMID:25585967</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 4rql" style="background-color:#fffaf0;"></div>

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

OCA at 08:24, 8 March 2023

OCA — Wed, 08 Mar 2023 08:24:21 GMT

←Older revision		Revision as of 08:24, 8 March 2023
Line 3:		Line 3:
	<StructureSection load='4rql' size='340' side='right'caption='[[4rql]], [[Resolution\|resolution]] 2.10Å' scene=''>		<StructureSection load='4rql' size='340' side='right'caption='[[4rql]], [[Resolution\|resolution]] 2.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4rql]] 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=4RQL OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4RQL FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4rql]] 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=4RQL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4RQL FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CM5:5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE'>CM5</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=SNE:SABINENE'>SNE</scene>~~</td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CM5:5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE'>CM5</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=SNE:SABINENE'>SNE</scene></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4i91\|4i91]], [[3ua5\|3ua5]], [[3qu8\|3qu8]], [[3qoa\|3qoa]], [[3ibd\|3ibd]]</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=4rql FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rql OCA], [https://pdbe.org/4rql PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4rql RCSB], [https://www.ebi.ac.uk/pdbsum/4rql PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4rql ProSAT]</span></td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CYP2B6 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])~~</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=4rql FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rql OCA], [~~http~~://pdbe.org/4rql PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4rql RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4rql PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4rql ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/CP2B6_HUMAN CP2B6_HUMAN]] Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Acts as a 1,4-cineole 2-exo-monooxygenase.<ref>PMID:11695850</ref>	+	[https://www.uniprot.org/uniprot/CP2B6_HUMAN CP2B6_HUMAN] Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Acts as a 1,4-cineole 2-exo-monooxygenase.<ref>PMID:11695850</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 22:		Line 20:

	==See Also==		==See Also==
-	*[[Cytochrome P450\|Cytochrome P450]]	+	*[[Cytochrome P450 3D structures\|Cytochrome P450 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Shah~~, M B]]~~	+	[[Category: Shah MB]]
-	~~[[Category: Cyp2b6]]~~	+
-	~~[[Category: Cytochrome p450 2b6]]~~	+
-	~~[[Category: Endoplasmic reticulum]]~~	+
-	~~[[Category: Heme]]~~	+
-	~~[[Category: Iron]]~~	+
-	~~[[Category: Membrane protein]]~~	+
-	~~[[Category: Metal binding]]~~	+
-	~~[[Category: Microsome]]~~	+
-	~~[[Category: Monooxygenase]]~~	+
-	~~[[Category: Oxidoreductase]]~~	+
-	~~[[Category: P450~~]]	+

OCA at 10:28, 1 May 2019

OCA — Wed, 01 May 2019 10:28:21 GMT

←Older revision		Revision as of 10:28, 1 May 2019
Line 1:		Line 1:

	==Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with a monoterpene - sabinene==		==Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with a monoterpene - sabinene==
-	<StructureSection load='4rql' size='340' side='right' caption='[[4rql]], [[Resolution\|resolution]] 2.10Å' scene=''>	+	<StructureSection load='4rql' size='340' side='right'caption='[[4rql]], [[Resolution\|resolution]] 2.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4rql]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4RQL OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4RQL FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4rql]] 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=4RQL OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4RQL FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CM5:5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE'>CM5</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=SNE:SABINENE'>SNE</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CM5:5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE'>CM5</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=SNE:SABINENE'>SNE</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4i91\|4i91]], [[3ua5\|3ua5]], [[3qu8\|3qu8]], [[3qoa\|3qoa]], [[3ibd\|3ibd]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4i91\|4i91]], [[3ua5\|3ua5]], [[3qu8\|3qu8]], [[3qoa\|3qoa]], [[3ibd\|3ibd]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CYP2B6 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=4rql FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rql OCA], [http://pdbe.org/4rql PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4rql RCSB], [http://www.ebi.ac.uk/pdbsum/4rql PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4rql 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=4rql FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rql OCA], [http://pdbe.org/4rql PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4rql RCSB], [http://www.ebi.ac.uk/pdbsum/4rql PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4rql ProSAT]</span></td></tr>
	</table>		</table>
Line 26:		Line 27:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Shah, M B]]		[[Category: Shah, M B]]
	[[Category: Cyp2b6]]		[[Category: Cyp2b6]]

OCA at 17:28, 18 January 2017

OCA — Wed, 18 Jan 2017 17:28:11 GMT

←Older revision		Revision as of 17:28, 18 January 2017
Line 1:		Line 1:
		+
	==Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with a monoterpene - sabinene==		==Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with a monoterpene - sabinene==
	<StructureSection load='4rql' size='340' side='right' caption='[[4rql]], [[Resolution\|resolution]] 2.10Å' scene=''>		<StructureSection load='4rql' size='340' side='right' caption='[[4rql]], [[Resolution\|resolution]] 2.10Å' scene=''>
Line 5:		Line 6:
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CM5:5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE'>CM5</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=SNE:SABINENE'>SNE</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CM5:5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE'>CM5</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=SNE:SABINENE'>SNE</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4i91\|4i91]], [[3ua5\|3ua5]], [[3qu8\|3qu8]], [[3qoa\|3qoa]], [[3ibd\|3ibd]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4i91\|4i91]], [[3ua5\|3ua5]], [[3qu8\|3qu8]], [[3qoa\|3qoa]], [[3ibd\|3ibd]]</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=4rql FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rql OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4rql RCSB], [http://www.ebi.ac.uk/pdbsum/4rql 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=4rql FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rql OCA], [http://pdbe.org/4rql PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4rql RCSB], [http://www.ebi.ac.uk/pdbsum/4rql PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4rql ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 17:		Line 18:
	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 4rql" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Cytochrome P450\|Cytochrome P450]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 16:34, 28 January 2015

OCA — Wed, 28 Jan 2015 16:34:47 GMT

←Older revision		Revision as of 16:34, 28 January 2015
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with a monoterpene - sabinene==
		+	<StructureSection load='4rql' size='340' side='right' caption='[[4rql]], [[Resolution\|resolution]] 2.10Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4rql]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4RQL OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4RQL FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CM5:5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE'>CM5</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=SNE:SABINENE'>SNE</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4i91\|4i91]], [[3ua5\|3ua5]], [[3qu8\|3qu8]], [[3qoa\|3qoa]], [[3ibd\|3ibd]]</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=4rql FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rql OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4rql RCSB], [http://www.ebi.ac.uk/pdbsum/4rql PDBsum]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/CP2B6_HUMAN CP2B6_HUMAN]] Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Acts as a 1,4-cineole 2-exo-monooxygenase.<ref>PMID:11695850</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	X-ray crystal structures of complexes of CYP2B6 and CYP2A6 with the monoterpene sabinene revealed two distinct binding modes in the active sites. In CYP2B6, sabinene positioned itself with the putative oxidation site located closer to the heme iron. In contrast, sabinene was found in an alternate conformation in the more compact CYP2A6, where the larger hydrophobic side chains resulted in a significantly reduced active site cavity. Furthermore, results from isothermal titration calorimetry indicated a much more substantial contribution of favorable enthalpy to sabinene binding to CYP2B6 as opposed to CYP2A6, consistent with the previous observations with (+)-alpha-pinene. Structural analysis of CYP2B6 complexes with sabinene and the structurally similar (3)-carene and comparison with previously solved structures revealed how the movement of the F206 side chain influences the volume of the binding pocket. In addition, retrospective analysis of prior structures revealed that ligands containing -Cl and -NH functional groups adopted a distinct orientation in the CYP2B active site compared with other ligands. This binding mode may reflect the formation of Cl-pi or NH-pi bonds with aromatic rings in the active site, which serve as important contributors to protein-ligand binding affinity and specificity. Overall, the findings from multiple techniques illustrate how drug metabolizing CYP2B6 and CYP2A6 handle a common hydrocarbon found in the environment. The study also provides insight into the role of specific functional groups of the ligand that may influence the binding to CYP2B6.

-	~~The entry 4rql is ON HOLD~~	+	Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison.,Shah MB, Wilderman PR, Liu J, Jang HH, Zhang Q, Stout CD, Halpert JR Mol Pharmacol. 2015 Jan 13. pii: mol.114.097014. PMID:25585967<ref>PMID:25585967</ref>

-	~~Authors~~: Shah, M.B.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: ~~Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with a monoterpene -sabinene~~	+	== References ==
-	[[Category: ~~Unreleased Structures~~]]	+	<references/>
-	[[Category: ~~Shah, M.B~~]]	+	__TOC__
		+	</StructureSection>
		+	[[Category: Shah, M B]]
		+	[[Category: Cyp2b6]]
		+	[[Category: Cytochrome p450 2b6]]
		+	[[Category: Endoplasmic reticulum]]
		+	[[Category: Heme]]
		+	[[Category: Iron]]
		+	[[Category: Membrane protein]]
		+	[[Category: Metal binding]]
		+	[[Category: Microsome]]
		+	[[Category: Monooxygenase]]
		+	[[Category: Oxidoreductase]]
		+	[[Category: P450]]

OCA at 17:13, 24 December 2014

OCA — Wed, 24 Dec 2014 17:13:44 GMT

←Older revision		Revision as of 17:13, 24 December 2014
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	Description: Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with a monoterpene -sabinene		Description: Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with a monoterpene -sabinene
		+	[[Category: Unreleased Structures]]
		+	[[Category: Shah, M.B]]

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

OCA — Wed, 19 Nov 2014 11:30:26 GMT

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

←Older revision

Revision as of 11:30, 19 November 2014

OCA: New page: '''Unreleased structure''' The entry 4rql is ON HOLD Authors: Shah, M.B. Description: Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with a monoterpene -sabi...

OCA — Wed, 19 Nov 2014 11:30:25 GMT

New page: '''Unreleased structure''' The entry 4rql is ON HOLD Authors: Shah, M.B. Description: Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with a monoterpene -sabi...

New page

'''Unreleased structure'''

The entry 4rql is ON HOLD

Authors: Shah, M.B.

Description: Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with a monoterpene -sabinene