4mgj - Revision history

OCA at 12:26, 1 March 2024

2024-03-01T12:26:28Z

←Older revision		Revision as of 12:26, 1 March 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4mgj]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Oryctolagus_cuniculus Oryctolagus cuniculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MGJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4MGJ FirstGlance]. <br>		<table><tr><td colspan='2'>[[4mgj]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Oryctolagus_cuniculus Oryctolagus cuniculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MGJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4MGJ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CPZ:4-(4-CHLOROPHENYL)IMIDAZOLE'>CPZ</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]] 2.41Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CPZ:4-(4-CHLOROPHENYL)IMIDAZOLE'>CPZ</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</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=4mgj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4mgj OCA], [https://pdbe.org/4mgj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4mgj RCSB], [https://www.ebi.ac.uk/pdbsum/4mgj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4mgj 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=4mgj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4mgj OCA], [https://pdbe.org/4mgj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4mgj RCSB], [https://www.ebi.ac.uk/pdbsum/4mgj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4mgj ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[https://www.uniprot.org/uniprot/CP2B4_RABIT CP2B4_RABIT] 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. In the epoxidation of arachidonic acid it has a unique preference for the 5,6-olefin.		[https://www.uniprot.org/uniprot/CP2B4_RABIT CP2B4_RABIT] 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. In the epoxidation of arachidonic acid it has a unique preference for the 5,6-olefin.
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	The structural basis of the regulation of microsomal cytochrome P450 (P450) activity was investigated by mutating the highly conserved heme binding motif residue, Phe429, on the proximal side of cytochrome P450 2B4 to a histidine. Spectroscopic, pre-steady-state and steady-state kinetic, thermodynamic, theoretical, and structural studies of the mutant demonstrate that formation of an H-bond between His429 and the unbonded electron pair of the Cys436 axial thiolate significantly alters the properties of the enzyme. The mutant lost >90% of its activity; its redox potential was increased by 87 mV, and the half-life of the oxyferrous mutant was increased approximately 37-fold. Single-crystal electronic absorption and resonance Raman spectroscopy demonstrated that the mutant was reduced by a small dose of X-ray photons. The structure revealed that the deltaN atom of His429 forms an H-bond with the axial Cys436 thiolate whereas the epsilonN atom forms an H-bond with the solvent and the side chain of Gln357. The amide of Gly438 forms the only other H-bond to the tetrahedral thiolate. Theoretical quantification of the histidine-thiolate interaction demonstrates a significant electron withdrawing effect on the heme iron. Comparisons of structures of class I-IV P450s demonstrate that either a phenylalanine or tryptophan is often found at the location corresponding to Phe429. Depending on the structure of the distal pocket heme, the residue at this location may or may not regulate the thermodynamic properties of the P450. Regardless, this residue appears to protect the thiolate from solvent, oxidation, protonations, and other deleterious reactions.
-
-	Structural and Functional Characterization of a Cytochrome P450 2B4 F429H Mutant with an Axial Thiolate-Histidine Hydrogen Bond.,Yang Y, Zhang H, Usharani D, Bu W, Im S, Tarasev M, Rwere F, Pearl NM, Meagher J, Sun C, Stuckey J, Shaik S, Waskell L Biochemistry. 2014 Jul 31. PMID:25029089<ref>PMID:25029089</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 4mgj" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Cytochrome P450 3D structures\|Cytochrome P450 3D structures]]		*[[Cytochrome P450 3D structures\|Cytochrome P450 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 11:15, 21 December 2022

2022-12-21T11:15:57Z

←Older revision		Revision as of 11:15, 21 December 2022
Line 3:		Line 3:
	<StructureSection load='4mgj' size='340' side='right'caption='[[4mgj]], [[Resolution\|resolution]] 2.41Å' scene=''>		<StructureSection load='4mgj' size='340' side='right'caption='[[4mgj]], [[Resolution\|resolution]] 2.41Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4mgj]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~European_rabbit European rabbit~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MGJ OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4MGJ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4mgj]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Oryctolagus_cuniculus Oryctolagus cuniculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MGJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4MGJ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CPZ:4-(4-CHLOROPHENYL)IMIDAZOLE'>CPZ</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" id="ligandDat"><scene name='pdbligand=CPZ:4-(4-CHLOROPHENYL)IMIDAZOLE'>CPZ</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">[[4mgl\|4mgl]], [[4mgo\|4mgo]]</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=4mgj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4mgj OCA], [https://pdbe.org/4mgj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4mgj RCSB], [https://www.ebi.ac.uk/pdbsum/4mgj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4mgj ProSAT]</span></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CYP2B4 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9986 European rabbit])</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=4mgj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4mgj OCA], [~~http~~://pdbe.org/4mgj PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4mgj RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4mgj PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4mgj ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/CP2B4_RABIT CP2B4_RABIT]] 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. In the epoxidation of arachidonic acid it has a unique preference for the 5,6-olefin.	+	[https://www.uniprot.org/uniprot/CP2B4_RABIT CP2B4_RABIT] 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. In the epoxidation of arachidonic acid it has a unique preference for the 5,6-olefin.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 23:		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: European rabbit]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Unspecific monooxygenase~~]]	+	[[Category: Oryctolagus cuniculus]]
-	[[Category: Bu, W]]	+	[[Category: Bu W]]
-	[[Category: Im, S]]	+	[[Category: Im S]]
-	[[Category: Meagher, J]]	+	[[Category: Meagher J]]
-	[[Category: Rwere, F]]	+	[[Category: Rwere F]]
-	[[Category: Shaik, S]]	+	[[Category: Shaik S]]
-	[[Category: Stuckey, J]]	+	[[Category: Stuckey J]]
-	[[Category: Sun, C]]	+	[[Category: Sun C]]
-	[[Category: Tarasev, M]]	+	[[Category: Tarasev M]]
-	[[Category: Usharani, D]]	+	[[Category: Usharani D]]
-	[[Category: Waskell, L]]	+	[[Category: Waskell L]]
-	[[Category: Yang, Y]]	+	[[Category: Yang Y]]
-	[[Category: Zhang, H]]	+	[[Category: Zhang H]]
-	~~[[Category: 4-cpi binding]]~~	+
-	~~[[Category: Closed conformation]]~~	+
-	~~[[Category: Oxidoreductase]]~~	+
-	~~[[Category: P450 fold~~]]	+

OCA at 08:32, 10 April 2019

2019-04-10T08:32:35Z

←Older revision		Revision as of 08:32, 10 April 2019
Line 1:		Line 1:

	==Crystal structure of cytochrome P450 2B4 F429H in complex with 4-CPI==		==Crystal structure of cytochrome P450 2B4 F429H in complex with 4-CPI==
-	<StructureSection load='4mgj' size='340' side='right' caption='[[4mgj]], [[Resolution\|resolution]] 2.41Å' scene=''>	+	<StructureSection load='4mgj' size='340' side='right'caption='[[4mgj]], [[Resolution\|resolution]] 2.41Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4mgj]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MGJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4MGJ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4mgj]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/European_rabbit European rabbit]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MGJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4MGJ FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CPZ:4-(4-CHLOROPHENYL)IMIDAZOLE'>CPZ</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=CPZ:4-(4-CHLOROPHENYL)IMIDAZOLE'>CPZ</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">[[4mgl\|4mgl]], [[4mgo\|4mgo]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4mgl\|4mgl]], [[4mgo\|4mgo]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CYP2B4 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9986 European rabbit])</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=4mgj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4mgj OCA], [http://pdbe.org/4mgj PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4mgj RCSB], [http://www.ebi.ac.uk/pdbsum/4mgj PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4mgj 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=4mgj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4mgj OCA], [http://pdbe.org/4mgj PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4mgj RCSB], [http://www.ebi.ac.uk/pdbsum/4mgj PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4mgj ProSAT]</span></td></tr>
Line 27:		Line 28:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: European rabbit]]
		+	[[Category: Large Structures]]
	[[Category: Unspecific monooxygenase]]		[[Category: Unspecific monooxygenase]]
	[[Category: Bu, W]]		[[Category: Bu, W]]

OCA at 11:02, 5 August 2016

2016-08-05T11:02:35Z

←Older revision		Revision as of 11:02, 5 August 2016
Line 1:		Line 1:
		+
	==Crystal structure of cytochrome P450 2B4 F429H in complex with 4-CPI==		==Crystal structure of cytochrome P450 2B4 F429H in complex with 4-CPI==
	<StructureSection load='4mgj' size='340' side='right' caption='[[4mgj]], [[Resolution\|resolution]] 2.41Å' scene=''>		<StructureSection load='4mgj' size='340' side='right' caption='[[4mgj]], [[Resolution\|resolution]] 2.41Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4mgl\|4mgl]], [[4mgo\|4mgo]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4mgl\|4mgl]], [[4mgo\|4mgo]]</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=4mgj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4mgj OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4mgj RCSB], [http://www.ebi.ac.uk/pdbsum/4mgj 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=4mgj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4mgj OCA], [http://pdbe.org/4mgj PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4mgj RCSB], [http://www.ebi.ac.uk/pdbsum/4mgj PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4mgj 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 4mgj" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Cytochrome P450\|Cytochrome P450]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 18:16, 25 December 2014

2014-12-25T18:16:03Z

←Older revision		Revision as of 18:16, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4mgj]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MGJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4MGJ FirstGlance]. <br>		<table><tr><td colspan='2'>[[4mgj]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MGJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4MGJ FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CPZ:4-(4-CHLOROPHENYL)IMIDAZOLE'>CPZ</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CPZ:4-(4-CHLOROPHENYL)IMIDAZOLE'>CPZ</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4mgl\|4mgl]], [[4mgo\|4mgo]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4mgl\|4mgl]], [[4mgo\|4mgo]]</td></tr>
-	<tr><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><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4mgj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4mgj OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4mgj RCSB], [http://www.ebi.ac.uk/pdbsum/4mgj 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=4mgj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4mgj OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4mgj RCSB], [http://www.ebi.ac.uk/pdbsum/4mgj PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/CP2B4_RABIT CP2B4_RABIT]] 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. In the epoxidation of arachidonic acid it has a unique preference for the 5,6-olefin.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 21:		Line 23:
	</StructureSection>		</StructureSection>
	[[Category: Unspecific monooxygenase]]		[[Category: Unspecific monooxygenase]]
-	[[Category: Bu, W.]]	+	[[Category: Bu, W]]
-	[[Category: Im, S.]]	+	[[Category: Im, S]]
-	[[Category: Meagher, J.]]	+	[[Category: Meagher, J]]
-	[[Category: Rwere, F.]]	+	[[Category: Rwere, F]]
-	[[Category: Shaik, S.]]	+	[[Category: Shaik, S]]
-	[[Category: Stuckey, J.]]	+	[[Category: Stuckey, J]]
-	[[Category: Sun, C.]]	+	[[Category: Sun, C]]
-	[[Category: Tarasev, M.]]	+	[[Category: Tarasev, M]]
-	[[Category: Usharani, D.]]	+	[[Category: Usharani, D]]
-	[[Category: Waskell, L.]]	+	[[Category: Waskell, L]]
-	[[Category: Yang, Y.]]	+	[[Category: Yang, Y]]
-	[[Category: Zhang, H.]]	+	[[Category: Zhang, H]]
	[[Category: 4-cpi binding]]		[[Category: 4-cpi binding]]
	[[Category: Closed conformation]]		[[Category: Closed conformation]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]
	[[Category: P450 fold]]		[[Category: P450 fold]]

OCA at 09:05, 13 August 2014

2014-08-13T09:05:48Z

←Older revision		Revision as of 09:05, 13 August 2014
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Crystal structure of cytochrome P450 2B4 F429H in complex with 4-CPI==
		+	<StructureSection load='4mgj' size='340' side='right' caption='[[4mgj]], [[Resolution\|resolution]] 2.41Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4mgj]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MGJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4MGJ FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CPZ:4-(4-CHLOROPHENYL)IMIDAZOLE'>CPZ</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4mgl\|4mgl]], [[4mgo\|4mgo]]</td></tr>
		+	<tr><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><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4mgj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4mgj OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4mgj RCSB], [http://www.ebi.ac.uk/pdbsum/4mgj PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The structural basis of the regulation of microsomal cytochrome P450 (P450) activity was investigated by mutating the highly conserved heme binding motif residue, Phe429, on the proximal side of cytochrome P450 2B4 to a histidine. Spectroscopic, pre-steady-state and steady-state kinetic, thermodynamic, theoretical, and structural studies of the mutant demonstrate that formation of an H-bond between His429 and the unbonded electron pair of the Cys436 axial thiolate significantly alters the properties of the enzyme. The mutant lost >90% of its activity; its redox potential was increased by 87 mV, and the half-life of the oxyferrous mutant was increased approximately 37-fold. Single-crystal electronic absorption and resonance Raman spectroscopy demonstrated that the mutant was reduced by a small dose of X-ray photons. The structure revealed that the deltaN atom of His429 forms an H-bond with the axial Cys436 thiolate whereas the epsilonN atom forms an H-bond with the solvent and the side chain of Gln357. The amide of Gly438 forms the only other H-bond to the tetrahedral thiolate. Theoretical quantification of the histidine-thiolate interaction demonstrates a significant electron withdrawing effect on the heme iron. Comparisons of structures of class I-IV P450s demonstrate that either a phenylalanine or tryptophan is often found at the location corresponding to Phe429. Depending on the structure of the distal pocket heme, the residue at this location may or may not regulate the thermodynamic properties of the P450. Regardless, this residue appears to protect the thiolate from solvent, oxidation, protonations, and other deleterious reactions.

-	~~The entry 4mgj is ON HOLD until Paper Publication~~	+	Structural and Functional Characterization of a Cytochrome P450 2B4 F429H Mutant with an Axial Thiolate-Histidine Hydrogen Bond.,Yang Y, Zhang H, Usharani D, Bu W, Im S, Tarasev M, Rwere F, Pearl NM, Meagher J, Sun C, Stuckey J, Shaik S, Waskell L Biochemistry. 2014 Jul 31. PMID:25029089<ref>PMID:25029089</ref>

-	~~Authors: Yang~~, Y.~~, Zhang, H~~.~~, Usharani, D~~., Bu, W., Im, S., ~~Tarasev, M~~., Rwere, F., ~~Meagher~~, J., Sun, C., ~~Stuckey, J~~., ~~Shaik, S~~., Waskell, L.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: ~~Crystal structure of cytochrome P450 2B4 F429H in complex with~~ 4-~~CPI~~	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Unspecific monooxygenase]]
		+	[[Category: Bu, W.]]
		+	[[Category: Im, S.]]
		+	[[Category: Meagher, J.]]
		+	[[Category: Rwere, F.]]
		+	[[Category: Shaik, S.]]
		+	[[Category: Stuckey, J.]]
		+	[[Category: Sun, C.]]
		+	[[Category: Tarasev, M.]]
		+	[[Category: Usharani, D.]]
		+	[[Category: Waskell, L.]]
		+	[[Category: Yang, Y.]]
		+	[[Category: Zhang, H.]]
		+	[[Category: 4-cpi binding]]
		+	[[Category: Closed conformation]]
		+	[[Category: Oxidoreductase]]
		+	[[Category: P450 fold]]

OCA at 07:36, 29 September 2013

2013-09-29T07:36:34Z

←Older revision		Revision as of 07:36, 29 September 2013
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4mgj is ON HOLD	+	The entry 4mgj is ON HOLD until Paper Publication

	Authors: Yang, Y., Zhang, H., Usharani, D., Bu, W., Im, S., Tarasev, M., Rwere, F., Meagher, J., Sun, C., Stuckey, J., Shaik, S., Waskell, L.		Authors: Yang, Y., Zhang, H., Usharani, D., Bu, W., Im, S., Tarasev, M., Rwere, F., Meagher, J., Sun, C., Stuckey, J., Shaik, S., Waskell, L.

	Description: Crystal structure of cytochrome P450 2B4 F429H in complex with 4-CPI		Description: Crystal structure of cytochrome P450 2B4 F429H in complex with 4-CPI

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

2013-09-04T10:06:53Z

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

←Older revision

Revision as of 10:06, 4 September 2013

OCA: New page: '''Unreleased structure''' The entry 4mgj is ON HOLD Authors: Yang, Y., Zhang, H., Usharani, D., Bu, W., Im, S., Tarasev, M., Rwere, F., Meagher, J., Sun, C., Stuckey, J., Shaik, S., Wa...

2013-09-04T10:06:51Z

New page: '''Unreleased structure''' The entry 4mgj is ON HOLD Authors: Yang, Y., Zhang, H., Usharani, D., Bu, W., Im, S., Tarasev, M., Rwere, F., Meagher, J., Sun, C., Stuckey, J., Shaik, S., Wa...

New page

'''Unreleased structure'''

The entry 4mgj is ON HOLD

Authors: Yang, Y., Zhang, H., Usharani, D., Bu, W., Im, S., Tarasev, M., Rwere, F., Meagher, J., Sun, C., Stuckey, J., Shaik, S., Waskell, L.

Description: Crystal structure of cytochrome P450 2B4 F429H in complex with 4-CPI