4k1j - Revision history

OCA at 11:35, 30 November 2022

OCA — Wed, 30 Nov 2022 11:35:36 GMT

←Older revision		Revision as of 11:35, 30 November 2022
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	<StructureSection load='4k1j' size='340' side='right'caption='[[4k1j]], [[Resolution\|resolution]] 2.20Å' scene=''>		<StructureSection load='4k1j' size='340' side='right'caption='[[4k1j]], [[Resolution\|resolution]] 2.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4k1j]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Influenza_a_virus_~~(a/ri/5+/1957(~~h2n2~~)) Influenza a virus (a/ri/5+/1957(~~h2n2~~))]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4K1J OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4K1J FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4k1j]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Influenza_A_virus_(A/RI/5+/1957(H2N2)) Influenza A virus (A/RI/5+/1957(H2N2))]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4K1J OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4K1J FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=G39:(3R,4R,5S)-4-(ACETYLAMINO)-5-AMINO-3-(PENTAN-3-YLOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC+ACID'>G39</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>~~</td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=G39:(3R,4R,5S)-4-(ACETYLAMINO)-5-AMINO-3-(PENTAN-3-YLOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC+ACID'>G39</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4k1h\|4k1h]], [[4k1i\|4k1i]], [[4k1k\|4k1k]]~~</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=4k1j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4k1j OCA], [https://pdbe.org/4k1j PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4k1j RCSB], [https://www.ebi.ac.uk/pdbsum/4k1j PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4k1j 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=4k1j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4k1j OCA], [~~http~~://pdbe.org/4k1j PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4k1j RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4k1j PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4k1j ProSAT]</span></td></tr>	+
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/Q194T1_9INFA Q194T1_9INFA]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	==See Also==		==See Also==
-	*[[Neuraminidase\|Neuraminidase]]	+	*[[Neuraminidase 3D structures\|Neuraminidase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
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	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Gao, F]]	+	[[Category: Gao F]]
-	[[Category: Gao~~, G F~~]]	+	[[Category: Gao GF]]
-	[[Category: Qi~~, J X~~]]	+	[[Category: Qi JX]]
-	[[Category: Wu, Y]]	+	[[Category: Wu Y]]
-	~~[[Category: Beta-propeller]]~~	+
-	~~[[Category: Glycoside hydrolase enzyme]]~~	+
-	~~[[Category: Hydrolase~~]]	+

OCA at 09:37, 3 April 2019

OCA — Wed, 03 Apr 2019 09:37:41 GMT

←Older revision		Revision as of 09:37, 3 April 2019
Line 1:		Line 1:

	==Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding==		==Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding==
-	<StructureSection load='4k1j' size='340' side='right' caption='[[4k1j]], [[Resolution\|resolution]] 2.20Å' scene=''>	+	<StructureSection load='4k1j' size='340' side='right'caption='[[4k1j]], [[Resolution\|resolution]] 2.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4k1j]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Influenza_a_virus_(a/ri/5+/1957(h2n2)) Influenza a virus (a/ri/5+/1957(h2n2))]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4K1J OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4K1J FirstGlance]. <br>		<table><tr><td colspan='2'>[[4k1j]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Influenza_a_virus_(a/ri/5+/1957(h2n2)) Influenza a virus (a/ri/5+/1957(h2n2))]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4K1J OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4K1J FirstGlance]. <br>
Line 24:		Line 24:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Gao, F]]		[[Category: Gao, F]]
	[[Category: Gao, G F]]		[[Category: Gao, G F]]

OCA at 19:53, 4 August 2016

OCA — Thu, 04 Aug 2016 19:53:36 GMT

←Older revision		Revision as of 19:53, 4 August 2016
Line 1:		Line 1:
		+
	==Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding==		==Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding==
	<StructureSection load='4k1j' size='340' side='right' caption='[[4k1j]], [[Resolution\|resolution]] 2.20Å' scene=''>		<StructureSection load='4k1j' size='340' side='right' caption='[[4k1j]], [[Resolution\|resolution]] 2.20Å' scene=''>
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	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=G39:(3R,4R,5S)-4-(ACETYLAMINO)-5-AMINO-3-(PENTAN-3-YLOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC+ACID'>G39</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=G39:(3R,4R,5S)-4-(ACETYLAMINO)-5-AMINO-3-(PENTAN-3-YLOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC+ACID'>G39</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4k1h\|4k1h]], [[4k1i\|4k1i]], [[4k1k\|4k1k]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4k1h\|4k1h]], [[4k1i\|4k1i]], [[4k1k\|4k1k]]</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=4k1j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4k1j OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4k1j RCSB], [http://www.ebi.ac.uk/pdbsum/4k1j 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=4k1j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4k1j OCA], [http://pdbe.org/4k1j PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4k1j RCSB], [http://www.ebi.ac.uk/pdbsum/4k1j PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4k1j ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
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	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 4k1j" style="background-color:#fffaf0;"></div>

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

OCA at 14:59, 21 December 2014

OCA — Sun, 21 Dec 2014 14:59:45 GMT

←Older revision		Revision as of 14:59, 21 December 2014
Line 1:		Line 1:
-	~~{{STRUCTURE_4k1j\| PDB=4k1j \| SCENE= }}~~	+	==Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding==
-	===Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding===	+	<StructureSection load='4k1j' size='340' side='right' caption='[[4k1j]], [[Resolution\|resolution]] 2.20Å' scene=''>
-	~~{{ABSTRACT_PUBMED_23531861}}~~	+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4k1j]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Influenza_a_virus_(a/ri/5+/1957(h2n2)) Influenza a virus (a/ri/5+/1957(h2n2))]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4K1J OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4K1J FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=G39:(3R,4R,5S)-4-(ACETYLAMINO)-5-AMINO-3-(PENTAN-3-YLOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC+ACID'>G39</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4k1h\|4k1h]], [[4k1i\|4k1i]], [[4k1k\|4k1k]]</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=4k1j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4k1j OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4k1j RCSB], [http://www.ebi.ac.uk/pdbsum/4k1j PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The recently discovered 150-cavity (formed by loop residues 147-152, N2 numbering) adjacent to the enzymatic active site of group 1 influenza A neuraminidase (NA) has introduced a novel target for the design of next-generation NA inhibitors. However, only group 1 NAs, with the exception of the 2009 pandemic H1N1 NA, possess a 150-cavity, and no 150-cavity has been observed in group 2 NAs. The role of the 150-cavity played in enzymatic activity and inhibitor binding is not well understood. Here, we demonstrate for the first time that oseltamivir carboxylate can induce opening of the rigid closed N2 150-loop and provide a novel mechanism for 150-loop movement using molecular dynamics simulations. Our results provide the structural and biophysical basis of the open form of 150-loop and illustrates that the inherent flexibility and the ligand induced flexibility of the 150-loop should be taken into consideration for future drug design.

-	~~==About this Structure==~~	+	Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding.,Wu Y, Qin G, Gao F, Liu Y, Vavricka CJ, Qi J, Jiang H, Yu K, Gao GF Sci Rep. 2013;3:1551. doi: 10.1038/srep01551. PMID:23531861<ref>PMID:23531861</ref>
-	~~[[4k1j]] is a 2 chain structure with sequence from [http~~:~~//en~~.~~wikipedia~~.~~org~~/~~wiki/Influenza_a_virus_(a/ri/5+/1957(h2n2)) Influenza a virus (a/ri/5+/1957(h2n2))]~~. ~~Full crystallographic information is available from [http~~:/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=4K1J OCA].~~	+

-	==~~Reference~~==	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~<ref group~~=~~"xtra">PMID:023531861</ref>~~<references ~~group="xtra"~~/><~~references~~/>	+	</div>
-	[[Category: Gao, F.]]	+
-	[[Category: Gao, G F.]]	+	==See Also==
-	[[Category: Qi, J X.]]	+	*[[Neuraminidase\|Neuraminidase]]
-	[[Category: Wu, Y.]]	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Gao, F]]
		+	[[Category: Gao, G F]]
		+	[[Category: Qi, J X]]
		+	[[Category: Wu, Y]]
	[[Category: Beta-propeller]]		[[Category: Beta-propeller]]
	[[Category: Glycoside hydrolase enzyme]]		[[Category: Glycoside hydrolase enzyme]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]

OCA at 17:58, 19 June 2013

OCA — Wed, 19 Jun 2013 17:58:12 GMT

←Older revision		Revision as of 17:58, 19 June 2013
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-	~~'''Unreleased structure'''~~	+	{{STRUCTURE_4k1j\| PDB=4k1j \| SCENE= }}
		+	===Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding===
		+	{{ABSTRACT_PUBMED_23531861}}

-	~~The entry~~ 4k1j is ~~ON HOLD~~	+	==About this Structure==
		+	[[4k1j]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Influenza_a_virus_(a/ri/5+/1957(h2n2)) Influenza a virus (a/ri/5+/1957(h2n2))]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4K1J OCA].

-	~~Authors~~: Wu, Y., Gao, F., Qi, J.X., ~~Gao, G.F~~.	+	==Reference==
-		+	<ref group="xtra">PMID:023531861</ref><references group="xtra"/><references/>
-	~~Description~~: ~~Induced opening of influenza virus neuraminidase N2 150~~-~~loop suggests an important role in inhibitor binding~~	+	[[Category: Gao, F.]]
		+	[[Category: Gao, G F.]]
		+	[[Category: Qi, J X.]]
		+	[[Category: Wu, Y.]]
		+	[[Category: Beta-propeller]]
		+	[[Category: Glycoside hydrolase enzyme]]
		+	[[Category: Hydrolase]]

OCA: Protected "4k1j" [edit=sysop:move=sysop]

OCA — Wed, 17 Apr 2013 20:05:48 GMT

Protected "4k1j" [edit=sysop:move=sysop]

←Older revision

Revision as of 20:05, 17 April 2013

OCA: New page: '''Unreleased structure''' The entry 4k1j is ON HOLD Authors: Wu, Y., Gao, F., Qi, J.X., Gao, G.F. Description: Induced opening of influenza virus neuraminidase N2 150-loop suggests an...

OCA — Wed, 17 Apr 2013 20:05:47 GMT

New page: '''Unreleased structure''' The entry 4k1j is ON HOLD Authors: Wu, Y., Gao, F., Qi, J.X., Gao, G.F. Description: Induced opening of influenza virus neuraminidase N2 150-loop suggests an...

New page

'''Unreleased structure'''

The entry 4k1j is ON HOLD

Authors: Wu, Y., Gao, F., Qi, J.X., Gao, G.F.

Description: Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding