4xqh - Revision history

OCA: Redirecting to 6gvp

OCA — Wed, 11 Jul 2018 05:31:50 GMT

Redirecting to 6gvp

←Older revision		Revision as of 05:31, 11 July 2018
Line 1:		Line 1:
-	~~==Tailspike protein mutant E372Q (delta D470/N471) of E. coli bacteriophage HK620 in complex with hexasaccharide==~~	+	#REDIRECT [[6gvp]] This PDB entry is obsolete and replaced by 6gvp
-	~~<StructureSection load='4xqh' size='340' side='right' caption='~~[[~~4xqh]], [[Resolution\|resolution]] 1.71Å' scene=''>~~	+
-	~~== Structural highlights ==~~	+
-	~~<table><tr><td colspan='2'>[[4xqh~~]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4XQH OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4XQH FirstGlance]. <br>	+
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=GLA:ALPHA+D-GALACTOSE'>GLA</scene>, <scene name='pdbligand=GLC:ALPHA-D-GLUCOSE'>GLC</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=NDG:2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE'>NDG</scene>, <scene name='pdbligand=RAM:ALPHA-L-RHAMNOSE'>RAM</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</scene></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=4xqh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xqh OCA], [http://pdbe.org/4xqh PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4xqh RCSB], [http://www.ebi.ac.uk/pdbsum/4xqh PDBsum]</span></td></tr>	+
-	~~</table>~~	+
-	~~<div style="background-color:#fffaf0;">~~	+
-	~~== Publication Abstract from PubMed ==~~	+
-	~~Bacteriophage HK620 recognizes~~ and cleaves the Oantigen polysaccharide of E. coli serogroup O18A1 with its tailspike protein (TSP). HK620TSP binds hexasaccharide fragments with low affinity, but single amino acid exchanges generated a set of high-affinity mutants with submicromolar dissociation constants. Isothermal titration calorimetry showed that only small amounts of heat were released upon complex formation via a large number of direct and solvent mediated hydrogen bonds between carbohydrate and protein. At room temperature association was both enthalpy- and entropy-driven emphasizing major solvent rearrangements upon complex formation. Crystal structure analysis showed identical protein and sugar conformers in the TSP complexes regardless of their hexasaccharide affinity. Only in one case a TSP mutant bound a different hexasaccharide conformer. The extended sugar binding site could be dissected in two regions: Firstly, a hydrophobic pocket at the reducing end with minor affinity contributions. Access to this site could be blocked by a single aspartate to asparagine exchange without major loss in hexasaccharide affinity. Secondly, a region where specific exchange of glutamate for glutamine created a site for an additional water molecule. Side chain rearrangements upon sugar binding led to desolvation and additional hydrogen bonding which define this region of the binding site as the high affinity scaffold.	+
-		+
-	Single amino acid exchange in bacteriophage HK620 tailspike protein results in thousand-fold increase of its oligosaccharide affinity.,Broeker NK, Gohlke U, Muller JJ, Uetrecht C, Heinemann U, Seckler R, Barbirz S Glycobiology. 2012 Aug 24. PMID:22923442<ref>PMID:22923442</ref>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 4xqh" style="background-color:#fffaf0;"></div>~~	+
-	~~== References ==~~	+
-	~~<references/>~~	+
-	~~__TOC__~~	+
-	~~</StructureSection>~~	+
-	~~[[Category: Barbirz, S]]~~	+
-	~~[[Category: Broeker, N K]]~~	+
-	~~[[Category: Gohlke, U]]~~	+
-	~~[[Category: Heinemann, U]]~~	+
-	~~[[Category: Seckler, R]]~~	+
-	~~[[Category: Beta helix]]~~	+
-	~~[[Category: Pectin lyase fold]]~~	+
-	~~[[Category: Protein-carbohydrate complex]]~~	+
-	~~[[Category: Viral protein]]~~	+

OCA at 02:23, 28 January 2016

OCA — Thu, 28 Jan 2016 02:23:04 GMT

←Older revision		Revision as of 02:23, 28 January 2016
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Tailspike protein mutant E372Q (delta D470/N471) of E. coli bacteriophage HK620 in complex with hexasaccharide==
		+	<StructureSection load='4xqh' size='340' side='right' caption='[[4xqh]], [[Resolution\|resolution]] 1.71Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4xqh]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4XQH OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4XQH FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=GLA:ALPHA+D-GALACTOSE'>GLA</scene>, <scene name='pdbligand=GLC:ALPHA-D-GLUCOSE'>GLC</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=NDG:2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE'>NDG</scene>, <scene name='pdbligand=RAM:ALPHA-L-RHAMNOSE'>RAM</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</scene></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=4xqh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xqh OCA], [http://pdbe.org/4xqh PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4xqh RCSB], [http://www.ebi.ac.uk/pdbsum/4xqh PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Bacteriophage HK620 recognizes and cleaves the Oantigen polysaccharide of E. coli serogroup O18A1 with its tailspike protein (TSP). HK620TSP binds hexasaccharide fragments with low affinity, but single amino acid exchanges generated a set of high-affinity mutants with submicromolar dissociation constants. Isothermal titration calorimetry showed that only small amounts of heat were released upon complex formation via a large number of direct and solvent mediated hydrogen bonds between carbohydrate and protein. At room temperature association was both enthalpy- and entropy-driven emphasizing major solvent rearrangements upon complex formation. Crystal structure analysis showed identical protein and sugar conformers in the TSP complexes regardless of their hexasaccharide affinity. Only in one case a TSP mutant bound a different hexasaccharide conformer. The extended sugar binding site could be dissected in two regions: Firstly, a hydrophobic pocket at the reducing end with minor affinity contributions. Access to this site could be blocked by a single aspartate to asparagine exchange without major loss in hexasaccharide affinity. Secondly, a region where specific exchange of glutamate for glutamine created a site for an additional water molecule. Side chain rearrangements upon sugar binding led to desolvation and additional hydrogen bonding which define this region of the binding site as the high affinity scaffold.

-	~~The entry 4xqh is ON HOLD until Paper Publication~~	+	Single amino acid exchange in bacteriophage HK620 tailspike protein results in thousand-fold increase of its oligosaccharide affinity.,Broeker NK, Gohlke U, Muller JJ, Uetrecht C, Heinemann U, Seckler R, Barbirz S Glycobiology. 2012 Aug 24. PMID:22923442<ref>PMID:22923442</ref>

-	~~Authors: Gohlke~~, U.~~, Broeker, N~~.K.~~, Heinemann, U., Seckler, R.,~~ Barbirz, S.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: ~~Tailspike protein mutant E372Q (delta D470/N471) of E. coli bacteriophage HK620 in complex with hexasaccharide~~	+	<div class="pdbe-citations 4xqh" style="background-color:#fffaf0;"></div>
-	[[Category: ~~Unreleased Structures~~]]	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Barbirz, S]]
		+	[[Category: Broeker, N K]]
		+	[[Category: Gohlke, U]]
	[[Category: Heinemann, U]]		[[Category: Heinemann, U]]
	[[Category: Seckler, R]]		[[Category: Seckler, R]]
-	[[Category: ~~Broeker, N.K~~]]	+	[[Category: Beta helix]]
-	[[Category: ~~Gohlke, U~~]]	+	[[Category: Pectin lyase fold]]
-	[[Category: ~~Barbirz, S~~]]	+	[[Category: Protein-carbohydrate complex]]
		+	[[Category: Viral protein]]

OCA at 23:16, 30 November 2015

OCA — Mon, 30 Nov 2015 23:16:44 GMT

←Older revision		Revision as of 23:16, 30 November 2015
Line 7:		Line 7:
	Description: Tailspike protein mutant E372Q (delta D470/N471) of E. coli bacteriophage HK620 in complex with hexasaccharide		Description: Tailspike protein mutant E372Q (delta D470/N471) of E. coli bacteriophage HK620 in complex with hexasaccharide
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
-	[[Category: Seckler, R]]
	[[Category: Heinemann, U]]		[[Category: Heinemann, U]]
		+	[[Category: Seckler, R]]
	[[Category: Broeker, N.K]]		[[Category: Broeker, N.K]]
	[[Category: Gohlke, U]]		[[Category: Gohlke, U]]
	[[Category: Barbirz, S]]		[[Category: Barbirz, S]]

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

OCA — Wed, 28 Jan 2015 15:42:09 GMT

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

←Older revision

Revision as of 15:42, 28 January 2015

OCA: New page: '''Unreleased structure''' The entry 4xqh is ON HOLD until Paper Publication Authors: Gohlke, U., Broeker, N.K., Heinemann, U., Seckler, R., Barbirz, S. Description: Tailspike protein ...

OCA — Wed, 28 Jan 2015 15:42:08 GMT

New page: '''Unreleased structure''' The entry 4xqh is ON HOLD until Paper Publication Authors: Gohlke, U., Broeker, N.K., Heinemann, U., Seckler, R., Barbirz, S. Description: Tailspike protein ...

New page

'''Unreleased structure'''

The entry 4xqh is ON HOLD until Paper Publication

Authors: Gohlke, U., Broeker, N.K., Heinemann, U., Seckler, R., Barbirz, S.

Description: Tailspike protein mutant E372Q (delta D470/N471) of E. coli bacteriophage HK620 in complex with hexasaccharide
[[Category: Unreleased Structures]]
[[Category: Seckler, R]]
[[Category: Heinemann, U]]
[[Category: Broeker, N.K]]
[[Category: Gohlke, U]]
[[Category: Barbirz, S]]