4yw0 - Revision history

OCA: Redirecting to 5f9t

OCA — Wed, 23 Dec 2015 12:35:54 GMT

Redirecting to 5f9t

←Older revision		Revision as of 12:35, 23 December 2015
Line 1:		Line 1:
-	~~==Crystal Structure of Streptococcus pneumoniae NanC, covalent complex with a fluorinated Neu5Ac derivative==~~	+	#REDIRECT [[5f9t]] This PDB entry is obsolete and replaced by 5f9t
-	~~<StructureSection load='4yw0' size='340' side='right' caption='~~[[~~4yw0]], [[Resolution\|resolution]] 2.05Å' scene=''>~~	+
-	~~== Structural highlights ==~~	+
-	~~<table><tr><td colspan='2'>[[4yw0~~]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4YW0 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4YW0 FirstGlance]. <br>	+
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FSI:5-(ACETYLAMINO)-3,5-DIDEOXY-3-FLUORO-D-ERYTHRO-ALPHA-L-MANNO-NON-2-ULOPYRANOSONIC+ACID'>FSI</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SFJ:(2R,3R,4R,5R,6R)-5-(ACETYLAMINO)-2,3-DIFLUORO-4-HYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]TETRAHYDRO-2H-PYRAN-2-CARBOXYLIC+ACID'>SFJ</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='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=4yw0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4yw0 OCA], [http://pdbe.org/4yw0 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4yw0 RCSB], [http://www.ebi.ac.uk/pdbsum/4yw0 PDBsum]</span></td></tr>	+
-	~~</table>~~	+
-	~~<div style="background-color:#fffaf0;">~~	+
-	~~== Publication Abstract from PubMed ==~~	+
-	Streptococcus pneumoniae is an important human pathogen that causes a range of disease states. Sialidases are important bacterial virulence factors. There are three pneumococcal sialidases: NanA, NanB, and NanC. NanC is an unusual sialidase in that its primary reaction product is 2-deoxy-2,3-didehydro-N-acetylneuraminic acid (Neu5Ac2en, also known as DANA), a nonspecific hydrolytic sialidase inhibitor. The production of Neu5Ac2en from alpha2-3-linked sialosides by the catalytic domain is confirmed within a crystal structure. A covalent complex with 3-fluoro-beta-N-acetylneuraminic acid is also presented, suggesting a common mechanism with other sialidases up to the final step of product formation. A conformation change in an active site hydrophobic loop on ligand binding constricts the entrance to the active site. In addition, the distance between the catalytic acid/base (Asp-315) and the ligand anomeric carbon is unusually short. These features facilitate a novel sialidase reaction in which the final step of product formation is direct abstraction of the C3 proton by the active site aspartic acid, forming Neu5Ac2en. NanC also possesses a carbohydrate-binding module, which is shown to bind alpha2-3- and alpha2-6-linked sialosides, as well as N-acetylneuraminic acid, which is captured in the crystal structure following hydration of Neu5Ac2en by NanC. Overall, the pneumococcal sialidases show remarkable mechanistic diversity while maintaining a common structural scaffold.	+
-		+
-	Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR.,Owen CD, Lukacik P, Potter JA, Sleator O, Taylor GL, Walsh MA J Biol Chem. 2015 Nov 13;290(46):27736-48. doi: 10.1074/jbc.M115.673632. Epub, 2015 Sep 14. PMID:26370075<ref>PMID:26370075</ref>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 4yw0" style="background-color:#fffaf0;"></div>~~	+
-	~~== References ==~~	+
-	~~<references/>~~	+
-	~~__TOC__~~	+
-	~~</StructureSection>~~	+
-	~~[[Category: Exo-alpha-sialidase]]~~	+
-	~~[[Category: Lukacik, P]]~~	+
-	~~[[Category: Owen, C D]]~~	+
-	~~[[Category: Potter, J A]]~~	+
-	~~[[Category: Taylor, G L]]~~	+
-	~~[[Category: Walsh, M]]~~	+
-	~~[[Category: Cbm40]]~~	+
-	~~[[Category: Covalent]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Sialidase]]~~	+

OCA at 22:10, 30 November 2015

OCA — Mon, 30 Nov 2015 22:10:15 GMT

←Older revision		Revision as of 22:10, 30 November 2015
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Crystal Structure of Streptococcus pneumoniae NanC, covalent complex with a fluorinated Neu5Ac derivative==
		+	<StructureSection load='4yw0' size='340' side='right' caption='[[4yw0]], [[Resolution\|resolution]] 2.05Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4yw0]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4YW0 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4YW0 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FSI:5-(ACETYLAMINO)-3,5-DIDEOXY-3-FLUORO-D-ERYTHRO-ALPHA-L-MANNO-NON-2-ULOPYRANOSONIC+ACID'>FSI</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SFJ:(2R,3R,4R,5R,6R)-5-(ACETYLAMINO)-2,3-DIFLUORO-4-HYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]TETRAHYDRO-2H-PYRAN-2-CARBOXYLIC+ACID'>SFJ</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='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=4yw0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4yw0 OCA], [http://pdbe.org/4yw0 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4yw0 RCSB], [http://www.ebi.ac.uk/pdbsum/4yw0 PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Streptococcus pneumoniae is an important human pathogen that causes a range of disease states. Sialidases are important bacterial virulence factors. There are three pneumococcal sialidases: NanA, NanB, and NanC. NanC is an unusual sialidase in that its primary reaction product is 2-deoxy-2,3-didehydro-N-acetylneuraminic acid (Neu5Ac2en, also known as DANA), a nonspecific hydrolytic sialidase inhibitor. The production of Neu5Ac2en from alpha2-3-linked sialosides by the catalytic domain is confirmed within a crystal structure. A covalent complex with 3-fluoro-beta-N-acetylneuraminic acid is also presented, suggesting a common mechanism with other sialidases up to the final step of product formation. A conformation change in an active site hydrophobic loop on ligand binding constricts the entrance to the active site. In addition, the distance between the catalytic acid/base (Asp-315) and the ligand anomeric carbon is unusually short. These features facilitate a novel sialidase reaction in which the final step of product formation is direct abstraction of the C3 proton by the active site aspartic acid, forming Neu5Ac2en. NanC also possesses a carbohydrate-binding module, which is shown to bind alpha2-3- and alpha2-6-linked sialosides, as well as N-acetylneuraminic acid, which is captured in the crystal structure following hydration of Neu5Ac2en by NanC. Overall, the pneumococcal sialidases show remarkable mechanistic diversity while maintaining a common structural scaffold.

-	~~The entry 4yw0 is ON HOLD~~	+	Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR.,Owen CD, Lukacik P, Potter JA, Sleator O, Taylor GL, Walsh MA J Biol Chem. 2015 Nov 13;290(46):27736-48. doi: 10.1074/jbc.M115.673632. Epub, 2015 Sep 14. PMID:26370075<ref>PMID:26370075</ref>

-	~~Authors: Owen~~, C.D.~~, Lukacik, P., Potter, J.A., Walsh, M., Taylor, G.L~~.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~:	+	<div class="pdbe-citations 4yw0" style="background-color:#fffaf0;"></div>
-	[[Category: ~~Unreleased Structures~~]]	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Exo-alpha-sialidase]]
	[[Category: Lukacik, P]]		[[Category: Lukacik, P]]
-	[[Category: ~~Potter~~, ~~J.A~~]]	+	[[Category: Owen, C D]]
-	[[Category: ~~Owen~~, ~~C.D~~]]	+	[[Category: Potter, J A]]
-	[[Category: Taylor, G.L]]	+	[[Category: Taylor, G L]]
	[[Category: Walsh, M]]		[[Category: Walsh, M]]
		+	[[Category: Cbm40]]
		+	[[Category: Covalent]]
		+	[[Category: Hydrolase]]
		+	[[Category: Sialidase]]

OCA: Protected "4yw0" [edit=sysop:move=sysop]

OCA — Wed, 01 Apr 2015 11:57:04 GMT

Protected "4yw0" [edit=sysop:move=sysop]

←Older revision

Revision as of 11:57, 1 April 2015

OCA: New page: '''Unreleased structure''' The entry 4yw0 is ON HOLD Authors: Owen, C.D., Lukacik, P., Potter, J.A., Walsh, M., Taylor, G.L. Description: Category: Unreleased Structures [[Categor...

OCA — Wed, 01 Apr 2015 11:57:03 GMT

New page: '''Unreleased structure''' The entry 4yw0 is ON HOLD Authors: Owen, C.D., Lukacik, P., Potter, J.A., Walsh, M., Taylor, G.L. Description: Category: Unreleased Structures [[Categor...

New page

'''Unreleased structure'''

The entry 4yw0 is ON HOLD

Authors: Owen, C.D., Lukacik, P., Potter, J.A., Walsh, M., Taylor, G.L.

Description:
[[Category: Unreleased Structures]]
[[Category: Lukacik, P]]
[[Category: Potter, J.A]]
[[Category: Owen, C.D]]
[[Category: Taylor, G.L]]
[[Category: Walsh, M]]