1b9v - Revision history

OCA at 05:38, 9 August 2023

OCA — Wed, 09 Aug 2023 05:38:29 GMT

←Older revision		Revision as of 05:38, 9 August 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1b9v]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Influenza_B_virus_(B/Lee/1940) Influenza B virus (B/Lee/1940)]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1B9V OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1B9V FirstGlance]. <br>		<table><tr><td colspan='2'>[[1b9v]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Influenza_B_virus_(B/Lee/1940) Influenza B virus (B/Lee/1940)]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1B9V OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1B9V FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=RA2:1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE'>RA2</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='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=RA2:1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE'>RA2</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=1b9v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1b9v OCA], [https://pdbe.org/1b9v PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1b9v RCSB], [https://www.ebi.ac.uk/pdbsum/1b9v PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1b9v 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=1b9v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1b9v OCA], [https://pdbe.org/1b9v PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1b9v RCSB], [https://www.ebi.ac.uk/pdbsum/1b9v PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1b9v ProSAT]</span></td></tr>
	</table>		</table>

OCA at 08:46, 7 December 2022

OCA — Wed, 07 Dec 2022 08:46:26 GMT

←Older revision		Revision as of 08:46, 7 December 2022
Line 1:		Line 1:

	==NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN TEH ACTIVE SITE==		==NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN TEH ACTIVE SITE==
-	<StructureSection load='1b9v' size='340' side='right'caption='[[1b9v]]' scene=''>	+	<StructureSection load='1b9v' size='340' side='right'caption='[[1b9v]], [[Resolution\|resolution]] 2.35Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1B9V OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1B9V FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1b9v]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Influenza_B_virus_(B/Lee/1940) Influenza B virus (B/Lee/1940)]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1B9V OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1B9V FirstGlance]. <br>
-	</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=1b9v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1b9v OCA], [https://pdbe.org/1b9v PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1b9v RCSB], [https://www.ebi.ac.uk/pdbsum/1b9v PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1b9v ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=RA2:1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE'>RA2</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=1b9v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1b9v OCA], [https://pdbe.org/1b9v PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1b9v RCSB], [https://www.ebi.ac.uk/pdbsum/1b9v PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1b9v ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/NRAM_INBLE NRAM_INBLE] Catalyzes the removal of terminal sialic acid residues from viral and cellular glycoconjugates. Cleaves off the terminal sialic acids on the glycosylated HA during virus budding to facilitate virus release. Additionally helps virus spread through the circulation by further removing sialic acids from the cell surface. These cleavages prevent self-aggregation and ensure the efficient spread of the progeny virus from cell to cell. Otherwise, infection would be limited to one round of replication. Described as a receptor-destroying enzyme because it cleaves a terminal sialic acid from the cellular receptors. May facilitate viral invasion of the upper airways by cleaving the sialic acid moities on the mucin of the airway epithelial cells (By similarity).
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The active site of type A or B influenza virus neuraminidase is composed of 11 conserved residues that directly interact with the substrate, sialic acid. An aromatic benzene ring has been used to replace the pyranose of sialic acid in our design of novel neuraminidase inhibitors. A bis(hydroxymethyl)pyrrolidinone ring was constructed in place of the N-acetyl group on the sialic acid. The hydroxymethyl groups replace two active site water molecules, which resulted in the high affinity of the nanomolar inhibitors. However, these inhibitors have greater potency for type A influenza virus than for type B influenza virus. To resolve the differences, we determined the X-ray crystal structure of three benzoic acid substituted inhibitors bound to the active site of B/Lee/40 neuraminidase. The investigation of a hydrophobic aliphatic group and a hydrophilic guanidino group on the aromatic inhibitors shows changes in the interaction with the active site residue Glu275. The results provide an explanation for the difference in efficacy of these inhibitors against types A and B viruses, even though the 11 active site residues of the neuraminidase are conserved.
		+
		+	Novel aromatic inhibitors of influenza virus neuraminidase make selective interactions with conserved residues and water molecules in the active site.,Finley JB, Atigadda VR, Duarte F, Zhao JJ, Brouillette WJ, Air GM, Luo M J Mol Biol. 1999 Nov 12;293(5):1107-19. PMID:10547289<ref>PMID:10547289</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 1b9v" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Neuraminidase 3D structures\|Neuraminidase 3D structures]]		*[[Neuraminidase 3D structures\|Neuraminidase 3D structures]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 15:11, 3 March 2021

OCA — Wed, 03 Mar 2021 15:11:52 GMT

←Older revision		Revision as of 15:11, 3 March 2021
Line 1:		Line 1:

	==NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN TEH ACTIVE SITE==		==NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN TEH ACTIVE SITE==
-	<StructureSection load='1b9v' size='340' side='right'caption='[[1b9v]]~~, [[Resolution\|resolution]] 2.35Å~~' scene=''>	+	<StructureSection load='1b9v' size='340' side='right'caption='[[1b9v]]' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>~~[[1b9v]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Influenza_b_virus_(b/lee/40) Influenza b virus (b/lee/40)].~~ Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1B9V OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=1B9V FirstGlance]. <br>	+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1B9V OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1B9V FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=RA2:1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE'>RA2</scene></td></tr>	+	</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=1b9v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1b9v OCA], [https://pdbe.org/1b9v PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1b9v RCSB], [https://www.ebi.ac.uk/pdbsum/1b9v PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1b9v ProSAT]</span></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Exo-alpha-sialidase Exo-alpha-sialidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.18 3.2.1.18] </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=1b9v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1b9v OCA], [~~http~~://pdbe.org/1b9v PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=1b9v RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/1b9v PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=1b9v ProSAT]</span></td></tr>	+
	</table>		</table>
-	== Function ==
-	[[http://www.uniprot.org/uniprot/NRAM_INBLE NRAM_INBLE]] Catalyzes the removal of terminal sialic acid residues from viral and cellular glycoconjugates. Cleaves off the terminal sialic acids on the glycosylated HA during virus budding to facilitate virus release. Additionally helps virus spread through the circulation by further removing sialic acids from the cell surface. These cleavages prevent self-aggregation and ensure the efficient spread of the progeny virus from cell to cell. Otherwise, infection would be limited to one round of replication. Described as a receptor-destroying enzyme because it cleaves a terminal sialic acid from the cellular receptors. May facilitate viral invasion of the upper airways by cleaving the sialic acid moities on the mucin of the airway epithelial cells (By similarity).
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	The active site of type A or B influenza virus neuraminidase is composed of 11 conserved residues that directly interact with the substrate, sialic acid. An aromatic benzene ring has been used to replace the pyranose of sialic acid in our design of novel neuraminidase inhibitors. A bis(hydroxymethyl)pyrrolidinone ring was constructed in place of the N-acetyl group on the sialic acid. The hydroxymethyl groups replace two active site water molecules, which resulted in the high affinity of the nanomolar inhibitors. However, these inhibitors have greater potency for type A influenza virus than for type B influenza virus. To resolve the differences, we determined the X-ray crystal structure of three benzoic acid substituted inhibitors bound to the active site of B/Lee/40 neuraminidase. The investigation of a hydrophobic aliphatic group and a hydrophilic guanidino group on the aromatic inhibitors shows changes in the interaction with the active site residue Glu275. The results provide an explanation for the difference in efficacy of these inhibitors against types A and B viruses, even though the 11 active site residues of the neuraminidase are conserved.
-
-	Novel aromatic inhibitors of influenza virus neuraminidase make selective interactions with conserved residues and water molecules in the active site.,Finley JB, Atigadda VR, Duarte F, Zhao JJ, Brouillette WJ, Air GM, Luo M J Mol Biol. 1999 Nov 12;293(5):1107-19. PMID:10547289<ref>PMID:10547289</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 1b9v" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
-	*[[Neuraminidase\|Neuraminidase]]	+	*[[Neuraminidase 3D structures\|Neuraminidase 3D structures]]
-	~~== References ==~~	+
-	~~<references/>~~	+
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Exo-alpha-sialidase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Air~~, G M~~]]	+	[[Category: Air GM]]
-	[[Category: Atigadda~~, V R~~]]	+	[[Category: Atigadda VR]]
-	[[Category: Brouillette~~, W J~~]]	+	[[Category: Brouillette WJ]]
-	[[Category: Duarte, F]]	+	[[Category: Duarte F]]
-	[[Category: Finley~~, J B~~]]	+	[[Category: Finley JB]]
-	[[Category: Luo, M]]	+	[[Category: Luo M]]
-	[[Category: Zahao~~, J J]]~~	+	[[Category: Zahao JJ]]
-	~~[[Category: B/lee/40]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Influenza]]~~	+
-	~~[[Category: Neuraminidase]]~~	+
-	~~[[Category: Sialidase~~]]	+

OCA at 09:25, 21 May 2019

OCA — Tue, 21 May 2019 09:25:59 GMT

←Older revision		Revision as of 09:25, 21 May 2019
Line 1:		Line 1:

	==NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN TEH ACTIVE SITE==		==NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN TEH ACTIVE SITE==
-	<StructureSection load='1b9v' size='340' side='right' caption='[[1b9v]], [[Resolution\|resolution]] 2.35Å' scene=''>	+	<StructureSection load='1b9v' size='340' side='right'caption='[[1b9v]], [[Resolution\|resolution]] 2.35Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1b9v]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Influenza_b_virus_(b/lee/40) Influenza b virus (b/lee/40)]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1B9V OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1B9V FirstGlance]. <br>		<table><tr><td colspan='2'>[[1b9v]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Influenza_b_virus_(b/lee/40) Influenza b virus (b/lee/40)]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1B9V OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1B9V FirstGlance]. <br>
Line 27:		Line 27:
	</StructureSection>		</StructureSection>
	[[Category: Exo-alpha-sialidase]]		[[Category: Exo-alpha-sialidase]]
		+	[[Category: Large Structures]]
	[[Category: Air, G M]]		[[Category: Air, G M]]
	[[Category: Atigadda, V R]]		[[Category: Atigadda, V R]]

OCA at 06:16, 17 August 2017

OCA — Thu, 17 Aug 2017 06:16:25 GMT

←Older revision		Revision as of 06:16, 17 August 2017
Line 1:		Line 1:
		+
	==NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN TEH ACTIVE SITE==		==NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN TEH ACTIVE SITE==
	<StructureSection load='1b9v' size='340' side='right' caption='[[1b9v]], [[Resolution\|resolution]] 2.35Å' scene=''>		<StructureSection load='1b9v' size='340' side='right' caption='[[1b9v]], [[Resolution\|resolution]] 2.35Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1b9v]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Influenza_b_virus_(b/lee/~~1940~~) Influenza b virus (b/lee/~~1940~~)]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1B9V OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1B9V FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1b9v]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Influenza_b_virus_(b/lee/40) Influenza b virus (b/lee/40)]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1B9V OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1B9V FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=RA2:1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE'>RA2</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=RA2:1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE'>RA2</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Exo-alpha-sialidase Exo-alpha-sialidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.18 3.2.1.18] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Exo-alpha-sialidase Exo-alpha-sialidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.18 3.2.1.18] </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=1b9v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1b9v OCA], [http://pdbe.org/1b9v PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1b9v RCSB], [http://www.ebi.ac.uk/pdbsum/1b9v 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=1b9v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1b9v OCA], [http://pdbe.org/1b9v PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1b9v RCSB], [http://www.ebi.ac.uk/pdbsum/1b9v PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1b9v ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==

OCA at 16:25, 11 September 2015

OCA — Fri, 11 Sep 2015 16:25:43 GMT

←Older revision		Revision as of 16:25, 11 September 2015
Line 2:		Line 2:
	<StructureSection load='1b9v' size='340' side='right' caption='[[1b9v]], [[Resolution\|resolution]] 2.35Å' scene=''>		<StructureSection load='1b9v' size='340' side='right' caption='[[1b9v]], [[Resolution\|resolution]] 2.35Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1b9v]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Influenza_b_virus_(b/lee/40) Influenza b virus (b/lee/40)]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1B9V OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1B9V FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1b9v]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Influenza_b_virus_(b/lee/1940) Influenza b virus (b/lee/1940)]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1B9V OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1B9V FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=RA2:1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE'>RA2</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=RA2:1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE'>RA2</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Exo-alpha-sialidase Exo-alpha-sialidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.18 3.2.1.18] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Exo-alpha-sialidase Exo-alpha-sialidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.18 3.2.1.18] </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=1b9v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1b9v OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1b9v RCSB], [http://www.ebi.ac.uk/pdbsum/1b9v 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=1b9v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1b9v OCA], [http://pdbe.org/1b9v PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1b9v RCSB], [http://www.ebi.ac.uk/pdbsum/1b9v PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 17:		Line 17:
	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 1b9v" style="background-color:#fffaf0;"></div>

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

OCA at 18:58, 25 December 2014

OCA — Thu, 25 Dec 2014 18:58:52 GMT

←Older revision		Revision as of 18:58, 25 December 2014
Line 7:		Line 7:
	<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=1b9v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1b9v OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1b9v RCSB], [http://www.ebi.ac.uk/pdbsum/1b9v 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=1b9v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1b9v OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1b9v RCSB], [http://www.ebi.ac.uk/pdbsum/1b9v PDBsum]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/NRAM_INBLE NRAM_INBLE]] Catalyzes the removal of terminal sialic acid residues from viral and cellular glycoconjugates. Cleaves off the terminal sialic acids on the glycosylated HA during virus budding to facilitate virus release. Additionally helps virus spread through the circulation by further removing sialic acids from the cell surface. These cleavages prevent self-aggregation and ensure the efficient spread of the progeny virus from cell to cell. Otherwise, infection would be limited to one round of replication. Described as a receptor-destroying enzyme because it cleaves a terminal sialic acid from the cellular receptors. May facilitate viral invasion of the upper airways by cleaving the sialic acid moities on the mucin of the airway epithelial cells (By similarity).
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 12:08, 22 December 2014

OCA — Mon, 22 Dec 2014 12:08:41 GMT

←Older revision		Revision as of 12:08, 22 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1b9v]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Influenza_b_virus_(b/lee/40) Influenza b virus (b/lee/40)]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1B9V OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1B9V FirstGlance]. <br>		<table><tr><td colspan='2'>[[1b9v]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Influenza_b_virus_(b/lee/40) Influenza b virus (b/lee/40)]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1B9V OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1B9V FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=RA2:1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE'>RA2</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=RA2:1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE'>RA2</scene></td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Exo-alpha-sialidase Exo-alpha-sialidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.18 3.2.1.18] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Exo-alpha-sialidase Exo-alpha-sialidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.18 3.2.1.18] </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=1b9v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1b9v OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1b9v RCSB], [http://www.ebi.ac.uk/pdbsum/1b9v 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=1b9v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1b9v OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1b9v RCSB], [http://www.ebi.ac.uk/pdbsum/1b9v PDBsum]</span></td></tr>
-	<table>	+	</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 23:		Line 23:
	</StructureSection>		</StructureSection>
	[[Category: Exo-alpha-sialidase]]		[[Category: Exo-alpha-sialidase]]
-	[[Category: Air, G M.]]	+	[[Category: Air, G M]]
-	[[Category: Atigadda, V R.]]	+	[[Category: Atigadda, V R]]
-	[[Category: Brouillette, W J.]]	+	[[Category: Brouillette, W J]]
-	[[Category: Duarte, F.]]	+	[[Category: Duarte, F]]
-	[[Category: Finley, J B.]]	+	[[Category: Finley, J B]]
-	[[Category: Luo, M.]]	+	[[Category: Luo, M]]
-	[[Category: Zahao, J J.]]	+	[[Category: Zahao, J J]]
	[[Category: B/lee/40]]		[[Category: B/lee/40]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]

OCA at 03:23, 7 August 2014

OCA — Thu, 07 Aug 2014 03:23:50 GMT

←Older revision		Revision as of 03:23, 7 August 2014
Line 1:		Line 1:
-	[[~~Image:~~1b9v.~~png~~\|~~left\|200px~~]]	+	==NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN TEH ACTIVE SITE==
		+	<StructureSection load='1b9v' size='340' side='right' caption='[[1b9v]], [[Resolution\|resolution]] 2.35Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[1b9v]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Influenza_b_virus_(b/lee/40) Influenza b virus (b/lee/40)]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1B9V OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1B9V FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=RA2:1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE'>RA2</scene><br>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Exo-alpha-sialidase Exo-alpha-sialidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.18 3.2.1.18] </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=1b9v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1b9v OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1b9v RCSB], [http://www.ebi.ac.uk/pdbsum/1b9v PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The active site of type A or B influenza virus neuraminidase is composed of 11 conserved residues that directly interact with the substrate, sialic acid. An aromatic benzene ring has been used to replace the pyranose of sialic acid in our design of novel neuraminidase inhibitors. A bis(hydroxymethyl)pyrrolidinone ring was constructed in place of the N-acetyl group on the sialic acid. The hydroxymethyl groups replace two active site water molecules, which resulted in the high affinity of the nanomolar inhibitors. However, these inhibitors have greater potency for type A influenza virus than for type B influenza virus. To resolve the differences, we determined the X-ray crystal structure of three benzoic acid substituted inhibitors bound to the active site of B/Lee/40 neuraminidase. The investigation of a hydrophobic aliphatic group and a hydrophilic guanidino group on the aromatic inhibitors shows changes in the interaction with the active site residue Glu275. The results provide an explanation for the difference in efficacy of these inhibitors against types A and B viruses, even though the 11 active site residues of the neuraminidase are conserved.

-	~~{{STRUCTURE_1b9v\| PDB=1b9v \| SCENE= }}~~	+	Novel aromatic inhibitors of influenza virus neuraminidase make selective interactions with conserved residues and water molecules in the active site.,Finley JB, Atigadda VR, Duarte F, Zhao JJ, Brouillette WJ, Air GM, Luo M J Mol Biol. 1999 Nov 12;293(5):1107-19. PMID:10547289<ref>PMID:10547289</ref>

-	~~===NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN TEH ACTIVE SITE===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_10547289}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[1b9v]] is~~ a ~~1 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Viruses Viruses]~~. ~~Full crystallographic information is available from [http:~~/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=1B9V OCA].~~	+

	==See Also==		==See Also==
	*[[Neuraminidase\|Neuraminidase]]		*[[Neuraminidase\|Neuraminidase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:010547289<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Exo-alpha-sialidase]]		[[Category: Exo-alpha-sialidase]]
-	[[Category: Viruses]]
	[[Category: Air, G M.]]		[[Category: Air, G M.]]
	[[Category: Atigadda, V R.]]		[[Category: Atigadda, V R.]]

OCA at 20:16, 20 October 2012

OCA — Sat, 20 Oct 2012 20:16:36 GMT

←Older revision		Revision as of 20:16, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[1b9v]] is a 1 chain structure ~~of [[Neuraminidase]]~~ with sequence from [http://en.wikipedia.org/wiki/Viruses Viruses]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1B9V OCA].	+	[[1b9v]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Viruses Viruses]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1B9V OCA].

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