6jvu - Revision history

OCA at 10:20, 22 November 2023

OCA — Wed, 22 Nov 2023 10:20:25 GMT

←Older revision		Revision as of 10:20, 22 November 2023
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	<StructureSection load='6jvu' size='340' side='right'caption='[[6jvu]], [[Resolution\|resolution]] 2.80Å' scene=''>		<StructureSection load='6jvu' size='340' side='right'caption='[[6jvu]], [[Resolution\|resolution]] 2.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6jvu]] is a 6 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Klebsiella_pneumoniae_mgh_78578~~ Klebsiella pneumoniae ~~mgh~~ 78578]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6JVU OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6JVU FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6jvu]] is a 6 chain structure with sequence from [https://en.wikipedia.org/wiki/Klebsiella_pneumoniae_MGH_78578 Klebsiella pneumoniae MGH 78578]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6JVU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6JVU FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=CYS:CYSTEINE'>CYS</scene>, <scene name='pdbligand=EDO:1~~,2~~-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</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]] 2.8Å</td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat">~~cysE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode~~=~~Info&srchmode~~=~~5&id=1328388 Klebsiella pneumoniae MGH 78578])</td~~></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CYS:CYSTEINE'>CYS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
-	<~~tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:~~</b~~></td><~~td class~~=~~"sblockDat"><span class~~=~~'plainlinks~~'>~~[http://en.wikipedia.org/wiki/Serine_O-acetyltransferase Serine O-acetyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.30 2.3.1.30]~~ </~~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=6jvu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6jvu OCA], [https://pdbe.org/6jvu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6jvu RCSB], [https://www.ebi.ac.uk/pdbsum/6jvu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6jvu ProSAT]</span></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=6jvu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6jvu OCA], [~~http~~://pdbe.org/6jvu PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6jvu RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6jvu PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6jvu ProSAT]</span></td></tr>	+
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A6TFK2_KLEP7 A6TFK2_KLEP7]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</div>		</div>
	<div class="pdbe-citations 6jvu" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6jvu" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Serine acetyltransferase\|Serine acetyltransferase]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Klebsiella pneumoniae ~~mgh~~ 78578]]	+	[[Category: Klebsiella pneumoniae MGH 78578]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Serine O-acetyltransferase]]~~	+	[[Category: Gupta V]]
-	[[Category: Gupta, V]]	+	[[Category: Verma D]]
-	[[Category: Verma, D]]	+
-	~~[[Category: Serine acetyltransferase]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 05:44, 13 May 2020

OCA — Wed, 13 May 2020 05:44:41 GMT

←Older revision		Revision as of 05:44, 13 May 2020
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	<StructureSection load='6jvu' size='340' side='right'caption='[[6jvu]], [[Resolution\|resolution]] 2.80Å' scene=''>		<StructureSection load='6jvu' size='340' side='right'caption='[[6jvu]], [[Resolution\|resolution]] 2.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6jvu]] is a 6 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6JVU OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6JVU FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6jvu]] is a 6 chain structure with sequence from [http://en.wikipedia.org/wiki/Klebsiella_pneumoniae_mgh_78578 Klebsiella pneumoniae mgh 78578]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6JVU OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6JVU FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CYS:CYSTEINE'>CYS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CYS:CYSTEINE'>CYS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">cysE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1328388 Klebsiella pneumoniae MGH 78578])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Serine_O-acetyltransferase Serine O-acetyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.30 2.3.1.30] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Serine_O-acetyltransferase Serine O-acetyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.30 2.3.1.30] </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=6jvu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6jvu OCA], [http://pdbe.org/6jvu PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6jvu RCSB], [http://www.ebi.ac.uk/pdbsum/6jvu PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6jvu ProSAT]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6jvu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6jvu OCA], [http://pdbe.org/6jvu PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6jvu RCSB], [http://www.ebi.ac.uk/pdbsum/6jvu PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6jvu ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Klebsiella pneumoniae mgh 78578]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Serine O-acetyltransferase]]		[[Category: Serine O-acetyltransferase]]

OCA at 09:13, 26 February 2020

OCA — Wed, 26 Feb 2020 09:13:30 GMT

←Older revision		Revision as of 09:13, 26 February 2020
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6jvu is ~~ON HOLD until Paper~~ Publication	+	==Crystal structure of Klebsiella pneumoniae CysE in complex with L-cysteine==
		+	<StructureSection load='6jvu' size='340' side='right'caption='[[6jvu]], [[Resolution\|resolution]] 2.80Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6jvu]] is a 6 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6JVU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6JVU FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CYS:CYSTEINE'>CYS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Serine_O-acetyltransferase Serine O-acetyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.30 2.3.1.30] </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=6jvu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6jvu OCA], [http://pdbe.org/6jvu PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6jvu RCSB], [http://www.ebi.ac.uk/pdbsum/6jvu PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6jvu ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The emergence and spread of multidrug-resistant strains of Klebsiella pneumoniae is a major concern that necessitates the development of unique therapeutics. The essential requirement of serine acetyltransferase (SAT/CysE) for survival of several human pathogens makes it a very promising target for inhibitor designing and drug discovery. In this study, as an initial step to structure-based drug discovery, CysE from K. pneumonia was structurally and biochemically characterized. Subsequently, blind docking of selected natural products into the X-ray crystallography determined 3D structure of the target was carried out. Experimental validation of the inhibitory potential of the top-scorers established quercetin as an uncompetitive inhibitor of Kpn CysE. Molecular dynamics simulations carried out to elucidate the binding mode of quercetin reveal that this small molecule binds at the trimer-trimer interface of hexameric CysE, a site physically distinct from the active site of the enzyme. Detailed analysis of conformational differences incurred in Kpn CysE structure on binding to quercetin provides mechanistic understanding of allosteric modulation. Binding of quercetin to CysE leads to conformation changes in the active site loops and proximal loops that affect its internal dynamics and consequently its affinity for substrate/co-factor binding, justifying the reduced enzyme activity.

-	~~Authors~~: ~~Verma~~, D., Gupta, V.	+	Allosteric inhibition and kinetic characterization of Klebsiella pneumoniae CysE: An emerging drug target.,Verma D, Gupta S, Saxena R, Kaur P, R R, Srivastava S, Gupta V Int J Biol Macromol. 2019 Nov 18. pii: S0141-8130(19)36577-8. doi:, 10.1016/j.ijbiomac.2019.10.170. PMID:31751684<ref>PMID:31751684</ref>

-	~~Description: Crystal structure~~ of ~~Klebsiella pneumoniae CysE in complex with L~~-~~cysteine~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
		+	<div class="pdbe-citations 6jvu" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Serine O-acetyltransferase]]
	[[Category: Gupta, V]]		[[Category: Gupta, V]]
	[[Category: Verma, D]]		[[Category: Verma, D]]
		+	[[Category: Serine acetyltransferase]]
		+	[[Category: Transferase]]

OCA at 05:35, 21 May 2019

OCA — Tue, 21 May 2019 05:35:30 GMT

←Older revision		Revision as of 05:35, 21 May 2019
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6jvu is ON HOLD	+	The entry 6jvu is ON HOLD until Paper Publication

	Authors: Verma, D., Gupta, V.		Authors: Verma, D., Gupta, V.

-	Description: Crystal structure of CysE in complex with L-cysteine ~~from Klebsiella pneumoniae~~	+	Description: Crystal structure of Klebsiella pneumoniae CysE in complex with L-cysteine
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
	[[Category: Gupta, V]]		[[Category: Gupta, V]]
	[[Category: Verma, D]]		[[Category: Verma, D]]

OCA: Protected "6jvu" [edit=sysop:move=sysop]

OCA — Wed, 24 Apr 2019 04:49:02 GMT

Protected "6jvu" [edit=sysop:move=sysop]

←Older revision

Revision as of 04:49, 24 April 2019

OCA: New page: '''Unreleased structure''' The entry 6jvu is ON HOLD Authors: Verma, D., Gupta, V. Description: Crystal structure of CysE in complex with L-cysteine from Klebsiella pneumoniae [[Catego...

OCA — Wed, 24 Apr 2019 04:49:00 GMT

New page: '''Unreleased structure''' The entry 6jvu is ON HOLD Authors: Verma, D., Gupta, V. Description: Crystal structure of CysE in complex with L-cysteine from Klebsiella pneumoniae [[Catego...

New page

'''Unreleased structure'''

The entry 6jvu is ON HOLD

Authors: Verma, D., Gupta, V.

Description: Crystal structure of CysE in complex with L-cysteine from Klebsiella pneumoniae
[[Category: Unreleased Structures]]
[[Category: Gupta, V]]
[[Category: Verma, D]]