4uha - Revision history

OCA at 08:23, 22 March 2023

OCA — Wed, 22 Mar 2023 08:23:57 GMT

←Older revision		Revision as of 08:23, 22 March 2023
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	<StructureSection load='4uha' size='340' side='right'caption='[[4uha]], [[Resolution\|resolution]] 2.20Å' scene=''>		<StructureSection load='4uha' size='340' side='right'caption='[[4uha]], [[Resolution\|resolution]] 2.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4uha]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Bovin Bovin~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4UHA OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=4UHA FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4uha]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4UHA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4UHA FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=H4B:5,6,7,8-TETRAHYDROBIOPTERIN'>H4B</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=Q1T:3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(METHYL(2-(METHYLAMINO)ETHYL)AMINO)BENZONITRILE'>Q1T</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene~~></td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=CAS:S-(DIMETHYLARSENIC)CYSTEINE'>CAS</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=H4B:5,6,7,8-TETRAHYDROBIOPTERIN'>H4B</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=Q1T:3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(METHYL(2-(METHYLAMINO)ETHYL)AMINO)BENZONITRILE'>Q1T</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	~~<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CAS:S-(DIMETHYLARSENIC)CYSTEINE'>CAS</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=4uha FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4uha OCA], [https://pdbe.org/4uha PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4uha RCSB], [https://www.ebi.ac.uk/pdbsum/4uha PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4uha ProSAT]</span></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ugz\|4ugz]], [[4uh0\|4uh0]], [[4uh1\|4uh1]], [[4uh2\|4uh2]], [[4uh3\|4uh3]], [[4uh4\|4uh4]], [[4uh5\|4uh5]], [[4uh6\|4uh6]], [[4uh7\|4uh7]], [[4uh8\|4uh8]], [[4uh9\|4uh9]]</td></tr>	+
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Nitric-oxide_synthase_(NADPH_dependent) Nitric-oxide synthase (NADPH dependent)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.39 1.14.13.39] </span></td></tr>	+
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=4uha FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4uha OCA], [~~http~~://pdbe.org/4uha PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4uha RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4uha PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4uha ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/NOS3_BOVIN NOS3_BOVIN]] Produces nitric oxide (NO) which is implicated in vascular smooth muscle relaxation through a cGMP-mediated signal transduction pathway. NO mediates vascular endothelial growth factor (VEGF)-induced angiogenesis in coronary vessels and promotes blood clotting through the activation of platelets.	+	[https://www.uniprot.org/uniprot/NOS3_BOVIN NOS3_BOVIN] Produces nitric oxide (NO) which is implicated in vascular smooth muscle relaxation through a cGMP-mediated signal transduction pathway. NO mediates vascular endothelial growth factor (VEGF)-induced angiogenesis in coronary vessels and promotes blood clotting through the activation of platelets.
	<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: ~~Bovin~~]]	+	[[Category: Bos taurus]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Li, H]]	+	[[Category: Li H]]
-	[[Category: Poulos~~, T L]]~~	+	[[Category: Poulos TL]]
-	~~[[Category: Inhibitor complex]]~~	+
-	~~[[Category: Oxidoreductase~~]]	+

OCA at 08:21, 4 November 2020

OCA — Wed, 04 Nov 2020 08:21:45 GMT

←Older revision		Revision as of 08:21, 4 November 2020
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	==Structure of bovine endothelial nitric oxide synthase heme domain in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-(methylamino)ethyl)amino)benzonitrile==		==Structure of bovine endothelial nitric oxide synthase heme domain in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-(methylamino)ethyl)amino)benzonitrile==
-	<StructureSection load='4uha' size='340' side='right' caption='[[4uha]], [[Resolution\|resolution]] 2.20Å' scene=''>	+	<StructureSection load='4uha' size='340' side='right'caption='[[4uha]], [[Resolution\|resolution]] 2.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4uha]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Bovin Bovin]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4UHA OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4UHA FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4uha]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Bovin Bovin]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4UHA OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=4UHA FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=H4B:5,6,7,8-TETRAHYDROBIOPTERIN'>H4B</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=Q1T:3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(METHYL(2-(METHYLAMINO)ETHYL)AMINO)BENZONITRILE'>Q1T</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=H4B:5,6,7,8-TETRAHYDROBIOPTERIN'>H4B</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=Q1T:3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(METHYL(2-(METHYLAMINO)ETHYL)AMINO)BENZONITRILE'>Q1T</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CAS:S-(DIMETHYLARSENIC)CYSTEINE'>CAS</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CAS:S-(DIMETHYLARSENIC)CYSTEINE'>CAS</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ugz\|4ugz]], [[4uh0\|4uh0]], [[4uh1\|4uh1]], [[4uh2\|4uh2]], [[4uh3\|4uh3]], [[4uh4\|4uh4]], [[4uh5\|4uh5]], [[4uh6\|4uh6]], [[4uh7\|4uh7]], [[4uh8\|4uh8]], [[4uh9\|4uh9]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ugz\|4ugz]], [[4uh0\|4uh0]], [[4uh1\|4uh1]], [[4uh2\|4uh2]], [[4uh3\|4uh3]], [[4uh4\|4uh4]], [[4uh5\|4uh5]], [[4uh6\|4uh6]], [[4uh7\|4uh7]], [[4uh8\|4uh8]], [[4uh9\|4uh9]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Nitric-oxide_synthase_(NADPH_dependent) Nitric-oxide synthase (NADPH dependent)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.39 1.14.13.39] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Nitric-oxide_synthase_(NADPH_dependent) Nitric-oxide synthase (NADPH dependent)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.39 1.14.13.39] </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=4uha FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4uha OCA], [http://pdbe.org/4uha PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4uha RCSB], [http://www.ebi.ac.uk/pdbsum/4uha PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4uha ProSAT]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=4uha FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4uha OCA], [http://pdbe.org/4uha PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4uha RCSB], [http://www.ebi.ac.uk/pdbsum/4uha PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4uha ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 23:		Line 23:

	==See Also==		==See Also==
-	*[[Nitric Oxide Synthase\|Nitric Oxide Synthase]]	+	*[[Nitric Oxide Synthase 3D structures\|Nitric Oxide Synthase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 29:		Line 29:
	</StructureSection>		</StructureSection>
	[[Category: Bovin]]		[[Category: Bovin]]
		+	[[Category: Large Structures]]
	[[Category: Li, H]]		[[Category: Li, H]]
	[[Category: Poulos, T L]]		[[Category: Poulos, T L]]
	[[Category: Inhibitor complex]]		[[Category: Inhibitor complex]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]

OCA at 09:14, 30 January 2019

OCA — Wed, 30 Jan 2019 09:14:31 GMT

←Older revision		Revision as of 09:14, 30 January 2019
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	<StructureSection load='4uha' size='340' side='right' caption='[[4uha]], [[Resolution\|resolution]] 2.20Å' scene=''>		<StructureSection load='4uha' size='340' side='right' caption='[[4uha]], [[Resolution\|resolution]] 2.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4uha]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4UHA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4UHA FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4uha]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Bovin Bovin]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4UHA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4UHA FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=H4B:5,6,7,8-TETRAHYDROBIOPTERIN'>H4B</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=~~S49~~:(~~2S)~~-N-[(4-~~CARBAMIMIDOYLPHENYL)METHYL]~~-1-~~[(2R~~)-~~3-PHENYL~~-2-[(~~PHENYLMETHYL~~)~~SULFONYLAMINO]PROPANOYL]PYRROLIDINE-2-CARBOXAMIDE~~'>~~S49~~</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=H4B:5,6,7,8-TETRAHYDROBIOPTERIN'>H4B</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=Q1T:3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(METHYL(2-(METHYLAMINO)ETHYL)AMINO)BENZONITRILE'>Q1T</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CAS:S-(DIMETHYLARSENIC)CYSTEINE'>CAS</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CAS:S-(DIMETHYLARSENIC)CYSTEINE'>CAS</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ugz\|4ugz]], [[4uh0\|4uh0]], [[4uh1\|4uh1]], [[4uh2\|4uh2]], [[4uh3\|4uh3]], [[4uh4\|4uh4]], [[4uh5\|4uh5]], [[4uh6\|4uh6]], [[4uh7\|4uh7]], [[4uh8\|4uh8]], [[4uh9\|4uh9]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ugz\|4ugz]], [[4uh0\|4uh0]], [[4uh1\|4uh1]], [[4uh2\|4uh2]], [[4uh3\|4uh3]], [[4uh4\|4uh4]], [[4uh5\|4uh5]], [[4uh6\|4uh6]], [[4uh7\|4uh7]], [[4uh8\|4uh8]], [[4uh9\|4uh9]]</td></tr>
Line 21:		Line 21:
	</div>		</div>
	<div class="pdbe-citations 4uha" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4uha" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Nitric Oxide Synthase\|Nitric Oxide Synthase]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Bovin]]
	[[Category: Li, H]]		[[Category: Li, H]]
	[[Category: Poulos, T L]]		[[Category: Poulos, T L]]
	[[Category: Inhibitor complex]]		[[Category: Inhibitor complex]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]

OCA at 13:22, 10 May 2017

OCA — Wed, 10 May 2017 13:22:34 GMT

←Older revision		Revision as of 13:22, 10 May 2017
Line 1:		Line 1:
		+
	==Structure of bovine endothelial nitric oxide synthase heme domain in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-(methylamino)ethyl)amino)benzonitrile==		==Structure of bovine endothelial nitric oxide synthase heme domain in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-(methylamino)ethyl)amino)benzonitrile==
	<StructureSection load='4uha' size='340' side='right' caption='[[4uha]], [[Resolution\|resolution]] 2.20Å' scene=''>		<StructureSection load='4uha' size='340' side='right' caption='[[4uha]], [[Resolution\|resolution]] 2.20Å' scene=''>
Line 7:		Line 8:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ugz\|4ugz]], [[4uh0\|4uh0]], [[4uh1\|4uh1]], [[4uh2\|4uh2]], [[4uh3\|4uh3]], [[4uh4\|4uh4]], [[4uh5\|4uh5]], [[4uh6\|4uh6]], [[4uh7\|4uh7]], [[4uh8\|4uh8]], [[4uh9\|4uh9]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ugz\|4ugz]], [[4uh0\|4uh0]], [[4uh1\|4uh1]], [[4uh2\|4uh2]], [[4uh3\|4uh3]], [[4uh4\|4uh4]], [[4uh5\|4uh5]], [[4uh6\|4uh6]], [[4uh7\|4uh7]], [[4uh8\|4uh8]], [[4uh9\|4uh9]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Nitric-oxide_synthase_(NADPH_dependent) Nitric-oxide synthase (NADPH dependent)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.39 1.14.13.39] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Nitric-oxide_synthase_(NADPH_dependent) Nitric-oxide synthase (NADPH dependent)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.39 1.14.13.39] </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=4uha FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4uha OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4uha RCSB], [http://www.ebi.ac.uk/pdbsum/4uha 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=4uha FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4uha OCA], [http://pdbe.org/4uha PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4uha RCSB], [http://www.ebi.ac.uk/pdbsum/4uha PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4uha ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 19:		Line 20:
	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 4uha" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 13:23, 15 July 2015

OCA — Wed, 15 Jul 2015 13:23:22 GMT

←Older revision		Revision as of 13:23, 15 July 2015
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Structure of bovine endothelial nitric oxide synthase heme domain in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-(methylamino)ethyl)amino)benzonitrile==
		+	<StructureSection load='4uha' size='340' side='right' caption='[[4uha]], [[Resolution\|resolution]] 2.20Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4uha]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4UHA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4UHA FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=H4B:5,6,7,8-TETRAHYDROBIOPTERIN'>H4B</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=S49:(2S)-N-[(4-CARBAMIMIDOYLPHENYL)METHYL]-1-[(2R)-3-PHENYL-2-[(PHENYLMETHYL)SULFONYLAMINO]PROPANOYL]PYRROLIDINE-2-CARBOXAMIDE'>S49</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
		+	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CAS:S-(DIMETHYLARSENIC)CYSTEINE'>CAS</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ugz\|4ugz]], [[4uh0\|4uh0]], [[4uh1\|4uh1]], [[4uh2\|4uh2]], [[4uh3\|4uh3]], [[4uh4\|4uh4]], [[4uh5\|4uh5]], [[4uh6\|4uh6]], [[4uh7\|4uh7]], [[4uh8\|4uh8]], [[4uh9\|4uh9]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Nitric-oxide_synthase_(NADPH_dependent) Nitric-oxide synthase (NADPH dependent)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.39 1.14.13.39] </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=4uha FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4uha OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4uha RCSB], [http://www.ebi.ac.uk/pdbsum/4uha PDBsum]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/NOS3_BOVIN NOS3_BOVIN]] Produces nitric oxide (NO) which is implicated in vascular smooth muscle relaxation through a cGMP-mediated signal transduction pathway. NO mediates vascular endothelial growth factor (VEGF)-induced angiogenesis in coronary vessels and promotes blood clotting through the activation of platelets.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	We have analyzed a recently obtained crystal structure of human neuronal nitric oxide synthase (nNOS) and then designed and synthesized several 2-aminopyridine derivatives containing a truncated side chain to avoid the hydrophobic pocket that differentiates human and rat nNOS in an attempt to explore alternative binding poses along the substrate access channel of human nNOS. Introduction of an N-methylethane-1,2-diamine side chain and conformational constraints such as benzonitrile and pyridine as the middle aromatic linker were sufficient to increase human and rat nNOS binding affinity and inducible and endothelial NOS selectivity. We found that 14b is a potent inhibitor; the binding modes with human and rat nNOS are unexpected, inducing side chain rotamer changes in Gln478 (rat) at the top of the active site. Compound 19c exhibits Ki values of 24 and 55 nM for rat and human nNOS, respectively, with 153-fold iNOS and 1040-fold eNOS selectivity. 19c has 18% oral bioavailability.

-	~~The entry 4uha is ON HOLD until Paper Publication~~	+	2-Aminopyridines with a Truncated Side Chain To Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.,Kang S, Li H, Tang W, Martasek P, Roman LJ, Poulos TL, Silverman RB J Med Chem. 2015 Jul 10. PMID:26120733<ref>PMID:26120733</ref>

-	~~Authors: Li~~, H.~~, Poulos, T~~.L.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description: Structure of bovine endothelial nitric oxide synthase heme domain in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-( methylamino)ethyl)amino)benzonitrile~~	+	== References ==
-	~~[[Category: Unreleased Structures]]~~	+	<references/>
-	~~[[Category: Poulos, T.L]]~~	+	__TOC__
		+	</StructureSection>
	[[Category: Li, H]]		[[Category: Li, H]]
		+	[[Category: Poulos, T L]]
		+	[[Category: Inhibitor complex]]
		+	[[Category: Oxidoreductase]]

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

OCA — Wed, 01 Apr 2015 09:43:35 GMT

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

←Older revision

Revision as of 09:43, 1 April 2015

OCA: New page: '''Unreleased structure''' The entry 4uha is ON HOLD until Paper Publication Authors: Li, H., Poulos, T.L. Description: Structure of bovine endothelial nitric oxide synthase heme domai...

OCA — Wed, 01 Apr 2015 09:43:34 GMT

New page: '''Unreleased structure''' The entry 4uha is ON HOLD until Paper Publication Authors: Li, H., Poulos, T.L. Description: Structure of bovine endothelial nitric oxide synthase heme domai...

New page

'''Unreleased structure'''

The entry 4uha is ON HOLD until Paper Publication

Authors: Li, H., Poulos, T.L.

Description: Structure of bovine endothelial nitric oxide synthase heme domain in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-( methylamino)ethyl)amino)benzonitrile
[[Category: Unreleased Structures]]
[[Category: Poulos, T.L]]
[[Category: Li, H]]