3jx6 - Revision history

OCA at 10:13, 21 February 2024

OCA — Wed, 21 Feb 2024 10:13:56 GMT

←Older revision		Revision as of 10:13, 21 February 2024
Line 3:		Line 3:
	<StructureSection load='3jx6' size='340' side='right'caption='[[3jx6]], [[Resolution\|resolution]] 2.35Å' scene=''>		<StructureSection load='3jx6' size='340' side='right'caption='[[3jx6]], [[Resolution\|resolution]] 2.35Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3jx6]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Buffalo_rat Buffalo rat~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3JX6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3JX6 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3jx6]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3JX6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3JX6 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=H4B:5,6,7,8-TETRAHYDROBIOPTERIN'>H4B</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=JI5:N-{(3R,4R)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N-[2-(3-FLUOROPHENYL)ETHYL]ETHANE-1,2-DIAMINE'>JI5</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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]] 2.35Å</td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3jws\|3jws]], [[3jwt\|3jwt]], [[3jwu\|3jwu]], [[3jwv\|3jwv]], [[3jww\|3jww]], [[3jwx\|3jwx]], [[3jwy\|3jwy]], [[3jwz\|3jwz]], [[3jw0\|3jw0]], [[3jw1\|3jw1]], [[3jw2\|3jw2]], [[3jw3\|3jw3]], [[3jw4\|3jw4]], [[3jw5\|3jw5]]</div></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=H4B:5,6,7,8-TETRAHYDROBIOPTERIN'>H4B</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=JI5:N-{(3R,4R)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N-[2-(3-FLUOROPHENYL)ETHYL]ETHANE-1,2-DIAMINE'>JI5</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Nos1, Bnos ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10116 Buffalo rat])</td></tr>	+
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Nitric-oxide_synthase_(NADPH_dependent) Nitric-oxide synthase (NADPH dependent)], with EC number [https://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'>[https://proteopedia.org/fgij/fg.htm?mol=3jx6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3jx6 OCA], [https://pdbe.org/3jx6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3jx6 RCSB], [https://www.ebi.ac.uk/pdbsum/3jx6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3jx6 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=3jx6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3jx6 OCA], [https://pdbe.org/3jx6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3jx6 RCSB], [https://www.ebi.ac.uk/pdbsum/3jx6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3jx6 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/NOS1_RAT NOS1_RAT]] Produces nitric oxide (NO) which is a messenger molecule with diverse functions throughout the body. In the brain and peripheral nervous system, NO displays many properties of a neurotransmitter. Inhibitory transmitter for non-adrenergic and non-cholinergic nerves in the colorectum. Probably has nitrosylase activity and mediates cysteine S-nitrosylation of cytoplasmic target proteins such SRR. Inhibitory transmitter for non-adrenergic and non-cholinergic nerves in the colorectum.	+	[https://www.uniprot.org/uniprot/NOS1_RAT NOS1_RAT] Produces nitric oxide (NO) which is a messenger molecule with diverse functions throughout the body. In the brain and peripheral nervous system, NO displays many properties of a neurotransmitter. Inhibitory transmitter for non-adrenergic and non-cholinergic nerves in the colorectum. Probably has nitrosylase activity and mediates cysteine S-nitrosylation of cytoplasmic target proteins such SRR. Inhibitory transmitter for non-adrenergic and non-cholinergic nerves in the colorectum.
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 22:		Line 20:
	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3jx6 ConSurf].		</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3jx6 ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	Selective inhibition of the neuronal isoform of nitric oxide synthase NOS (nNOS) has been shown to prevent brain injury and is important for the treatment of various neurodegenerative disorders. However, given the high active site conservation among all three NOS isoforms, the design of selective inhibitors is an extremely challenging problem. Here we present the structural basis for why novel and potent nNOS inhibitors exhibit the highest level of selectivity over eNOS reported so far (approximately 3,800-fold). By using a combination of crystallography, computational methods, and site-directed mutagenesis, we found that inhibitor chirality and an unanticipated structural change of the target enzyme control both the orientation and selectivity of these novel nNOS inhibitors. A new hot spot generated as a result of enzyme elasticity provides important information for the future fragment-based design of selective NOS inhibitors.
-
-	Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.,Delker SL, Ji H, Li H, Jamal J, Fang J, Xue F, Silverman RB, Poulos TL J Am Chem Soc. 2010 Apr 21;132(15):5437-42. PMID:20337441<ref>PMID:20337441</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 3jx6" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Nitric Oxide Synthase 3D structures\|Nitric Oxide Synthase 3D structures]]		*[[Nitric Oxide Synthase 3D structures\|Nitric Oxide Synthase 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Buffalo rat]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Delker, S L~~]]	+	[[Category: Rattus norvegicus]]
-	[[Category: ~~Li, H~~]]	+	[[Category: Delker SL]]
-	[[Category: ~~Poulos, T L~~]]	+	[[Category: Li H]]
-	[[Category: ~~Heme enzyme]]~~	+	[[Category: Poulos TL]]
-	~~[[Category: Oxidoreductase]]~~	+
-	~~[[Category: Substrate inhibitor~~]]	+

OCA at 12:18, 13 October 2021

OCA — Wed, 13 Oct 2021 12:18:49 GMT

←Older revision		Revision as of 12:18, 13 October 2021
Line 3:		Line 3:
	<StructureSection load='3jx6' size='340' side='right'caption='[[3jx6]], [[Resolution\|resolution]] 2.35Å' scene=''>		<StructureSection load='3jx6' size='340' side='right'caption='[[3jx6]], [[Resolution\|resolution]] 2.35Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3jx6]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Buffalo_rat Buffalo rat]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3JX6 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3JX6 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3jx6]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Buffalo_rat Buffalo rat]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3JX6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3JX6 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=H4B:5,6,7,8-TETRAHYDROBIOPTERIN'>H4B</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=JI5:N-{(3R,4R)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N-[2-(3-FLUOROPHENYL)ETHYL]ETHANE-1,2-DIAMINE'>JI5</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=H4B:5,6,7,8-TETRAHYDROBIOPTERIN'>H4B</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=JI5:N-{(3R,4R)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N-[2-(3-FLUOROPHENYL)ETHYL]ETHANE-1,2-DIAMINE'>JI5</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3jws\|3jws]], [[3jwt\|3jwt]], [[3jwu\|3jwu]], [[3jwv\|3jwv]], [[3jww\|3jww]], [[3jwx\|3jwx]], [[3jwy\|3jwy]], [[3jwz\|3jwz]], [[3jw0\|3jw0]], [[3jw1\|3jw1]], [[3jw2\|3jw2]], [[3jw3\|3jw3]], [[3jw4\|3jw4]], [[3jw5\|3jw5]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3jws\|3jws]], [[3jwt\|3jwt]], [[3jwu\|3jwu]], [[3jwv\|3jwv]], [[3jww\|3jww]], [[3jwx\|3jwx]], [[3jwy\|3jwy]], [[3jwz\|3jwz]], [[3jw0\|3jw0]], [[3jw1\|3jw1]], [[3jw2\|3jw2]], [[3jw3\|3jw3]], [[3jw4\|3jw4]], [[3jw5\|3jw5]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Nos1, Bnos ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10116 Buffalo rat])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Nos1, Bnos ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10116 Buffalo rat])</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'>[https://en.wikipedia.org/wiki/Nitric-oxide_synthase_(NADPH_dependent) Nitric-oxide synthase (NADPH dependent)], with EC number [https://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=3jx6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3jx6 OCA], [~~http~~://pdbe.org/3jx6 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3jx6 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3jx6 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3jx6 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=3jx6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3jx6 OCA], [https://pdbe.org/3jx6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3jx6 RCSB], [https://www.ebi.ac.uk/pdbsum/3jx6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3jx6 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/NOS1_RAT NOS1_RAT]] Produces nitric oxide (NO) which is a messenger molecule with diverse functions throughout the body. In the brain and peripheral nervous system, NO displays many properties of a neurotransmitter. Inhibitory transmitter for non-adrenergic and non-cholinergic nerves in the colorectum. Probably has nitrosylase activity and mediates cysteine S-nitrosylation of cytoplasmic target proteins such SRR. Inhibitory transmitter for non-adrenergic and non-cholinergic nerves in the colorectum.	+	[[https://www.uniprot.org/uniprot/NOS1_RAT NOS1_RAT]] Produces nitric oxide (NO) which is a messenger molecule with diverse functions throughout the body. In the brain and peripheral nervous system, NO displays many properties of a neurotransmitter. Inhibitory transmitter for non-adrenergic and non-cholinergic nerves in the colorectum. Probably has nitrosylase activity and mediates cysteine S-nitrosylation of cytoplasmic target proteins such SRR. Inhibitory transmitter for non-adrenergic and non-cholinergic nerves in the colorectum.
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 33:		Line 33:

	==See Also==		==See Also==
-	*[[Nitric Oxide Synthase\|Nitric Oxide Synthase]]	+	*[[Nitric Oxide Synthase 3D structures\|Nitric Oxide Synthase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 08:29, 24 July 2019

OCA — Wed, 24 Jul 2019 08:29:12 GMT

←Older revision		Revision as of 08:29, 24 July 2019
Line 1:		Line 1:

	==Structure of neuronal nitric oxide synthase D597N/M336V/Y706A mutant heme domain complexed with N1-[(3' R,4' R)-4'-((6"-amino-4"-methylpyridin-2"-yl)methyl)pyrrolidin-3'-yl]-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride==		==Structure of neuronal nitric oxide synthase D597N/M336V/Y706A mutant heme domain complexed with N1-[(3' R,4' R)-4'-((6"-amino-4"-methylpyridin-2"-yl)methyl)pyrrolidin-3'-yl]-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride==
-	<StructureSection load='3jx6' size='340' side='right' caption='[[3jx6]], [[Resolution\|resolution]] 2.35Å' scene=''>	+	<StructureSection load='3jx6' size='340' side='right'caption='[[3jx6]], [[Resolution\|resolution]] 2.35Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3jx6]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Buffalo_rat Buffalo rat]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3JX6 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3JX6 FirstGlance]. <br>		<table><tr><td colspan='2'>[[3jx6]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Buffalo_rat Buffalo rat]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3JX6 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3JX6 FirstGlance]. <br>
Line 39:		Line 39:
	</StructureSection>		</StructureSection>
	[[Category: Buffalo rat]]		[[Category: Buffalo rat]]
		+	[[Category: Large Structures]]
	[[Category: Delker, S L]]		[[Category: Delker, S L]]
	[[Category: Li, H]]		[[Category: Li, H]]

OCA at 09:27, 26 December 2018

OCA — Wed, 26 Dec 2018 09:27:22 GMT

←Older revision		Revision as of 09:27, 26 December 2018
Line 16:		Line 16:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/jx/3jx6_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/jx/3jx6_consurf.spt"</scriptWhenChecked>
	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>		<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>

OCA at 23:02, 5 August 2016

OCA — Fri, 05 Aug 2016 23:02:16 GMT

←Older revision		Revision as of 23:02, 5 August 2016
Line 1:		Line 1:
		+
	==Structure of neuronal nitric oxide synthase D597N/M336V/Y706A mutant heme domain complexed with N1-[(3' R,4' R)-4'-((6"-amino-4"-methylpyridin-2"-yl)methyl)pyrrolidin-3'-yl]-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride==		==Structure of neuronal nitric oxide synthase D597N/M336V/Y706A mutant heme domain complexed with N1-[(3' R,4' R)-4'-((6"-amino-4"-methylpyridin-2"-yl)methyl)pyrrolidin-3'-yl]-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride==
	<StructureSection load='3jx6' size='340' side='right' caption='[[3jx6]], [[Resolution\|resolution]] 2.35Å' scene=''>		<StructureSection load='3jx6' size='340' side='right' caption='[[3jx6]], [[Resolution\|resolution]] 2.35Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3jx6]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Rattus_norvegicus Rattus norvegicus~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3JX6 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3JX6 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3jx6]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Buffalo_rat Buffalo rat]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3JX6 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3JX6 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=H4B:5,6,7,8-TETRAHYDROBIOPTERIN'>H4B</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=JI5:N-{(3R,4R)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N-[2-(3-FLUOROPHENYL)ETHYL]ETHANE-1,2-DIAMINE'>JI5</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=H4B:5,6,7,8-TETRAHYDROBIOPTERIN'>H4B</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=JI5:N-{(3R,4R)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N-[2-(3-FLUOROPHENYL)ETHYL]ETHANE-1,2-DIAMINE'>JI5</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3jws\|3jws]], [[3jwt\|3jwt]], [[3jwu\|3jwu]], [[3jwv\|3jwv]], [[3jww\|3jww]], [[3jwx\|3jwx]], [[3jwy\|3jwy]], [[3jwz\|3jwz]], [[3jw0\|3jw0]], [[3jw1\|3jw1]], [[3jw2\|3jw2]], [[3jw3\|3jw3]], [[3jw4\|3jw4]], [[3jw5\|3jw5]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3jws\|3jws]], [[3jwt\|3jwt]], [[3jwu\|3jwu]], [[3jwv\|3jwv]], [[3jww\|3jww]], [[3jwx\|3jwx]], [[3jwy\|3jwy]], [[3jwz\|3jwz]], [[3jw0\|3jw0]], [[3jw1\|3jw1]], [[3jw2\|3jw2]], [[3jw3\|3jw3]], [[3jw4\|3jw4]], [[3jw5\|3jw5]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Nos1, Bnos ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10116 ~~Rattus norvegicus~~])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Nos1, Bnos ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10116 Buffalo rat])</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~~ Nitric-oxide synthase], 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=3jx6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3jx6 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3jx6 RCSB], [http://www.ebi.ac.uk/pdbsum/3jx6 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=3jx6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3jx6 OCA], [http://pdbe.org/3jx6 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3jx6 RCSB], [http://www.ebi.ac.uk/pdbsum/3jx6 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3jx6 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 19:		Line 20:
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
	</jmolCheckbox>		</jmolCheckbox>
-	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/~~chain_selection~~.php?pdb_ID=~~2ata~~ ConSurf].	+	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3jx6 ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 29:		Line 30:
	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 3jx6" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 36:		Line 38:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Nitric-oxide synthase]]~~	+	[[Category: Buffalo rat]]
-	~~[[Category: Rattus norvegicus~~]]	+
	[[Category: Delker, S L]]		[[Category: Delker, S L]]
	[[Category: Li, H]]		[[Category: Li, H]]

OCA at 06:37, 25 December 2014

OCA — Thu, 25 Dec 2014 06:37:39 GMT

←Older revision		Revision as of 06:37, 25 December 2014
Line 9:		Line 9:
	<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=3jx6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3jx6 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3jx6 RCSB], [http://www.ebi.ac.uk/pdbsum/3jx6 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=3jx6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3jx6 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3jx6 RCSB], [http://www.ebi.ac.uk/pdbsum/3jx6 PDBsum]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/NOS1_RAT NOS1_RAT]] Produces nitric oxide (NO) which is a messenger molecule with diverse functions throughout the body. In the brain and peripheral nervous system, NO displays many properties of a neurotransmitter. Inhibitory transmitter for non-adrenergic and non-cholinergic nerves in the colorectum. Probably has nitrosylase activity and mediates cysteine S-nitrosylation of cytoplasmic target proteins such SRR. Inhibitory transmitter for non-adrenergic and non-cholinergic nerves in the colorectum.
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]

OCA at 09:34, 9 December 2014

OCA — Tue, 09 Dec 2014 09:34:05 GMT

←Older revision		Revision as of 09:34, 9 December 2014
Line 1:		Line 1:
-	[[~~Image:~~3jx6.~~png~~\|~~left~~\|200px]]	+	==Structure of neuronal nitric oxide synthase D597N/M336V/Y706A mutant heme domain complexed with N1-[(3' R,4' R)-4'-((6"-amino-4"-methylpyridin-2"-yl)methyl)pyrrolidin-3'-yl]-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride==
		+	<StructureSection load='3jx6' size='340' side='right' caption='[[3jx6]], [[Resolution\|resolution]] 2.35Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3jx6]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3JX6 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3JX6 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=H4B:5,6,7,8-TETRAHYDROBIOPTERIN'>H4B</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=JI5:N-{(3R,4R)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N-[2-(3-FLUOROPHENYL)ETHYL]ETHANE-1,2-DIAMINE'>JI5</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3jws\|3jws]], [[3jwt\|3jwt]], [[3jwu\|3jwu]], [[3jwv\|3jwv]], [[3jww\|3jww]], [[3jwx\|3jwx]], [[3jwy\|3jwy]], [[3jwz\|3jwz]], [[3jw0\|3jw0]], [[3jw1\|3jw1]], [[3jw2\|3jw2]], [[3jw3\|3jw3]], [[3jw4\|3jw4]], [[3jw5\|3jw5]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Nos1, Bnos ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10116 Rattus norvegicus])</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 Nitric-oxide synthase], 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=3jx6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3jx6 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3jx6 RCSB], [http://www.ebi.ac.uk/pdbsum/3jx6 PDBsum]</span></td></tr>
		+	</table>
		+	== Evolutionary Conservation ==
		+	[[Image:Consurf_key_small.gif\|200px\|right]]
		+	Check<jmol>
		+	<jmolCheckbox>
		+	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/jx/3jx6_consurf.spt"</scriptWhenChecked>
		+	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
		+	<text>to colour the structure by Evolutionary Conservation</text>
		+	</jmolCheckbox>
		+	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf].
		+	<div style="clear:both"></div>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Selective inhibition of the neuronal isoform of nitric oxide synthase NOS (nNOS) has been shown to prevent brain injury and is important for the treatment of various neurodegenerative disorders. However, given the high active site conservation among all three NOS isoforms, the design of selective inhibitors is an extremely challenging problem. Here we present the structural basis for why novel and potent nNOS inhibitors exhibit the highest level of selectivity over eNOS reported so far (approximately 3,800-fold). By using a combination of crystallography, computational methods, and site-directed mutagenesis, we found that inhibitor chirality and an unanticipated structural change of the target enzyme control both the orientation and selectivity of these novel nNOS inhibitors. A new hot spot generated as a result of enzyme elasticity provides important information for the future fragment-based design of selective NOS inhibitors.

-	~~{{STRUCTURE_3jx6\| PDB=3jx6 \| SCENE= }}~~	+	Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.,Delker SL, Ji H, Li H, Jamal J, Fang J, Xue F, Silverman RB, Poulos TL J Am Chem Soc. 2010 Apr 21;132(15):5437-42. PMID:20337441<ref>PMID:20337441</ref>

-	~~===Structure of neuronal nitric oxide synthase D597N/M336V~~/~~Y706A mutant heme domain complexed with N1-[(3' R~~,~~4' R)-4'-((6"-amino-4"-methylpyridin-2"-yl)methyl)pyrrolidin-3'-yl]-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_20337441}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[3jx6]] is~~ a ~~2 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Rattus_norvegicus Rattus norvegicus]~~. ~~Full crystallographic information is available from [http:~~/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=3JX6 OCA].~~	+

	==See Also==		==See Also==
	*[[Nitric Oxide Synthase\|Nitric Oxide Synthase]]		*[[Nitric Oxide Synthase\|Nitric Oxide Synthase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:020337441<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Nitric-oxide synthase]]		[[Category: Nitric-oxide synthase]]
	[[Category: Rattus norvegicus]]		[[Category: Rattus norvegicus]]
-	[[Category: Delker, S L.]]	+	[[Category: Delker, S L]]
-	[[Category: Li, H.]]	+	[[Category: Li, H]]
-	[[Category: Poulos, T L.]]	+	[[Category: Poulos, T L]]
	[[Category: Heme enzyme]]		[[Category: Heme enzyme]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]
	[[Category: Substrate inhibitor]]		[[Category: Substrate inhibitor]]

OCA at 13:44, 20 October 2012

OCA — Sat, 20 Oct 2012 13:44:33 GMT

←Older revision		Revision as of 13:44, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[3jx6]] is a 2 chain structure ~~of [[Nitric Oxide Synthase]]~~ with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3JX6 OCA].	+	[[3jx6]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3JX6 OCA].

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

OCA: Protected "3jx6" [edit=sysop:move=sysop]

OCA — Thu, 26 Jul 2012 12:57:38 GMT

Protected "3jx6" [edit=sysop:move=sysop]

←Older revision

Revision as of 12:57, 26 July 2012

OCA at 12:57, 26 July 2012

OCA — Thu, 26 Jul 2012 12:57:36 GMT

←Older revision		Revision as of 12:57, 26 July 2012
Line 1:		Line 1:
-	~~{{Seed}}~~	+	[[Image:3jx6.png\|left\|200px]]
-	[[Image:3jx6.~~jpg~~\|left\|200px]]	+

-	<!--
-	The line below this paragraph, containing "STRUCTURE_3jx6", creates the "Structure Box" on the page.
-	You may change the PDB parameter (which sets the PDB file loaded into the applet)
-	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-	or leave the SCENE parameter empty for the default display.
-	-->
	{{STRUCTURE_3jx6\| PDB=3jx6 \| SCENE= }}		{{STRUCTURE_3jx6\| PDB=3jx6 \| SCENE= }}

	===Structure of neuronal nitric oxide synthase D597N/M336V/Y706A mutant heme domain complexed with N1-[(3' R,4' R)-4'-((6"-amino-4"-methylpyridin-2"-yl)methyl)pyrrolidin-3'-yl]-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride===		===Structure of neuronal nitric oxide synthase D597N/M336V/Y706A mutant heme domain complexed with N1-[(3' R,4' R)-4'-((6"-amino-4"-methylpyridin-2"-yl)methyl)pyrrolidin-3'-yl]-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_20337441}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 20337441 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_20337441}}		{{ABSTRACT_PUBMED_20337441}}

	==About this Structure==		==About this Structure==
-	~~3JX6~~ is a 2 ~~chains~~ structure with ~~sequences~~ from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3JX6 OCA].	+	[[3jx6]] is a 2 chain structure of [[Nitric Oxide Synthase]] with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3JX6 OCA].
		+
		+	==See Also==
		+	*[[Nitric Oxide Synthase\|Nitric Oxide Synthase]]

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~20337441~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:020337441</ref><references group="xtra"/>
	[[Category: Nitric-oxide synthase]]		[[Category: Nitric-oxide synthase]]
	[[Category: Rattus norvegicus]]		[[Category: Rattus norvegicus]]
Line 32:		Line 23:
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]
	[[Category: Substrate inhibitor]]		[[Category: Substrate inhibitor]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed May 5 11:56:28 2010''