5ufg - Revision history

OCA at 13:26, 4 October 2023

OCA — Wed, 04 Oct 2023 13:26:43 GMT

←Older revision		Revision as of 13:26, 4 October 2023
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	<StructureSection load='5ufg' size='340' side='right'caption='[[5ufg]], [[Resolution\|resolution]] 1.76Å' scene=''>		<StructureSection load='5ufg' size='340' side='right'caption='[[5ufg]], [[Resolution\|resolution]] 1.76Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5ufg]] is a 1 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=5UFG OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5UFG FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5ufg]] is a 1 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=5UFG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5UFG FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=85D:(1S,5R)-2-(BROMOMETHYL)-6,6-DIMETHYLBICYCLO[3.1.1]HEPT-2-ENE'>85D</scene>, <scene name='pdbligand=CM5:5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE'>CM5</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</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]] 1.76Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5uap\|5uap]], [[5uec\|5uec]], [[5uda\|5uda]], [[4i91\|4i91]], [[3ibd\|3ibd]]</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=85D:(1S,5R)-2-(BROMOMETHYL)-6,6-DIMETHYLBICYCLO[3.1.1]HEPT-2-ENE'>85D</scene>, <scene name='pdbligand=CM5:5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE'>CM5</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene></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'>[https://proteopedia.org/fgij/fg.htm?mol=5ufg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ufg OCA], [https://pdbe.org/5ufg PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5ufg RCSB], [https://www.ebi.ac.uk/pdbsum/5ufg PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5ufg 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=5ufg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ufg OCA], [~~http~~://pdbe.org/5ufg PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5ufg RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5ufg PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5ufg 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 ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Halpert~~, J R~~]]	+	[[Category: Halpert JR]]
-	[[Category: Shah~~, M B]]~~	+	[[Category: Shah MB]]
-	~~[[Category: Cytochrome p450 2b6]]~~	+
-	~~[[Category: Oxidoreductase~~]]	+

OCA at 09:06, 18 December 2019

OCA — Wed, 18 Dec 2019 09:06:16 GMT

←Older revision		Revision as of 09:06, 18 December 2019
Line 1:		Line 1:

	==Crystal Structure of CYP2B6 (Y226H/K262R/I114V) in complex with myrtenyl bromide==		==Crystal Structure of CYP2B6 (Y226H/K262R/I114V) in complex with myrtenyl bromide==
-	<StructureSection load='5ufg' size='340' side='right' caption='[[5ufg]], [[Resolution\|resolution]] 1.76Å' scene=''>	+	<StructureSection load='5ufg' size='340' side='right'caption='[[5ufg]], [[Resolution\|resolution]] 1.76Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5ufg]] is a 1 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=5UFG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5UFG FirstGlance]. <br>		<table><tr><td colspan='2'>[[5ufg]] is a 1 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=5UFG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5UFG FirstGlance]. <br>
Line 20:		Line 20:
	</div>		</div>
	<div class="pdbe-citations 5ufg" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5ufg" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Cytochrome P450 3D structures\|Cytochrome P450 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 25:		Line 28:
	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Halpert, J R]]		[[Category: Halpert, J R]]
	[[Category: Shah, M B]]		[[Category: Shah, M B]]
	[[Category: Cytochrome p450 2b6]]		[[Category: Cytochrome p450 2b6]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]

OCA at 14:33, 6 November 2017

OCA — Mon, 06 Nov 2017 14:33:28 GMT

←Older revision		Revision as of 14:33, 6 November 2017
Line 3:		Line 3:
	<StructureSection load='5ufg' size='340' side='right' caption='[[5ufg]], [[Resolution\|resolution]] 1.76Å' scene=''>		<StructureSection load='5ufg' size='340' side='right' caption='[[5ufg]], [[Resolution\|resolution]] 1.76Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5ufg]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5UFG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5UFG FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5ufg]] is a 1 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=5UFG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5UFG FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=85D:(1S,5R)-2-(BROMOMETHYL)-6,6-DIMETHYLBICYCLO[3.1.1]HEPT-2-ENE'>85D</scene>, <scene name='pdbligand=CM5:5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE'>CM5</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=85D:(1S,5R)-2-(BROMOMETHYL)-6,6-DIMETHYLBICYCLO[3.1.1]HEPT-2-ENE'>85D</scene>, <scene name='pdbligand=CM5:5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE'>CM5</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5uap\|5uap]], [[5uec\|5uec]], [[5uda\|5uda]], [[4i91\|4i91]], [[3ibd\|3ibd]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5uap\|5uap]], [[5uec\|5uec]], [[5uda\|5uda]], [[4i91\|4i91]], [[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=5ufg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ufg OCA], [http://pdbe.org/5ufg PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5ufg RCSB], [http://www.ebi.ac.uk/pdbsum/5ufg PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5ufg 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=5ufg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ufg OCA], [http://pdbe.org/5ufg PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5ufg RCSB], [http://www.ebi.ac.uk/pdbsum/5ufg PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5ufg ProSAT]</span></td></tr>
	</table>		</table>
Line 23:		Line 24:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
	[[Category: Halpert, J R]]		[[Category: Halpert, J R]]
	[[Category: Shah, M B]]		[[Category: Shah, M B]]
	[[Category: Cytochrome p450 2b6]]		[[Category: Cytochrome p450 2b6]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]

OCA at 11:33, 12 April 2017

OCA — Wed, 12 Apr 2017 11:33:56 GMT

←Older revision		Revision as of 11:33, 12 April 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5ufg is ~~ON HOLD~~ ~~until Paper~~ Publication	+	==Crystal Structure of CYP2B6 (Y226H/K262R/I114V) in complex with myrtenyl bromide==
		+	<StructureSection load='5ufg' size='340' side='right' caption='[[5ufg]], [[Resolution\|resolution]] 1.76Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5ufg]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5UFG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5UFG FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=85D:(1S,5R)-2-(BROMOMETHYL)-6,6-DIMETHYLBICYCLO[3.1.1]HEPT-2-ENE'>85D</scene>, <scene name='pdbligand=CM5:5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE'>CM5</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5uap\|5uap]], [[5uec\|5uec]], [[5uda\|5uda]], [[4i91\|4i91]], [[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=5ufg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ufg OCA], [http://pdbe.org/5ufg PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5ufg RCSB], [http://www.ebi.ac.uk/pdbsum/5ufg PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5ufg ProSAT]</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 ==
		+	Numerous cytochrome P450 (CYP) 2B6 substrates including drugs and environmental chemicals are halogenated. To assess the role of halogen-pi bonds in substrate selectivity and orientation in the active site, structures of four CYP2B6 monoterpenoid complexes were solved by X-ray crystallography. Bornyl bromide exhibited dual orientations in the active site with the predominant orientation revealing a bromine-pi bond with the Phe108 side chain. Bornane demonstrated two orientations with equal occupancy; in both, the C2 atom that bears the bromine in bornyl bromide was displaced by more than 2.5 A compared with the latter complex. The bromine in myrtenyl bromide pi-bonded with Phe297 in CYP2B6, whereas the two major orientations in the active site mutant I114V exhibited bromine-pi interactions with two additional residues, Phe108 and Phe115. Analysis of existing structures suggests that halogen-pi interactions may be unique to the CYP2B enzymes within CYP family 2 but are also important for CYP3A enzymes.

-	~~Authors~~: ~~Shah, M.B~~., ~~Halpert~~, J.R.	+	Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.,Shah MB, Liu J, Zhang Q, Stout CD, Halpert JR ACS Chem Biol. 2017 Apr 6. doi: 10.1021/acschembio.7b00056. PMID:28368100<ref>PMID:28368100</ref>

-	~~Description: Crystal Structure~~ of ~~CYP2B6 (Y226H~~/~~K262R~~/~~I114V) in complex with myrtenyl bromide~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
-	[[Category: Shah, M.B]]	+	<div class="pdbe-citations 5ufg" style="background-color:#fffaf0;"></div>
-	[[Category: ~~Halpert, J.R~~]]	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Halpert, J R]]
		+	[[Category: Shah, M B]]
		+	[[Category: Cytochrome p450 2b6]]
		+	[[Category: Oxidoreductase]]

OCA: Protected "5ufg" [edit=sysop:move=sysop]

OCA — Wed, 18 Jan 2017 14:50:42 GMT

Protected "5ufg" [edit=sysop:move=sysop]

←Older revision

Revision as of 14:50, 18 January 2017

OCA: New page: '''Unreleased structure''' The entry 5ufg is ON HOLD until Paper Publication Authors: Shah, M.B., Halpert, J.R. Description: Crystal Structure of CYP2B6 (Y226H/K262R/I114V) in complex ...

OCA — Wed, 18 Jan 2017 14:50:41 GMT

New page: '''Unreleased structure''' The entry 5ufg is ON HOLD until Paper Publication Authors: Shah, M.B., Halpert, J.R. Description: Crystal Structure of CYP2B6 (Y226H/K262R/I114V) in complex ...

New page

'''Unreleased structure'''

The entry 5ufg is ON HOLD until Paper Publication

Authors: Shah, M.B., Halpert, J.R.

Description: Crystal Structure of CYP2B6 (Y226H/K262R/I114V) in complex with myrtenyl bromide
[[Category: Unreleased Structures]]
[[Category: Shah, M.B]]
[[Category: Halpert, J.R]]