6ook - Revision history

OCA at 07:14, 11 October 2023

OCA — Wed, 11 Oct 2023 07:14:10 GMT

←Older revision		Revision as of 07:14, 11 October 2023
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	==CTX-M-14 Beta Lactamase with Compound 3==		==CTX-M-14 Beta Lactamase with Compound 3==
-	<StructureSection load='6ook' size='340' side='right'caption='[[6ook]]' scene=''>	+	<StructureSection load='6ook' size='340' side='right'caption='[[6ook]], [[Resolution\|resolution]] 1.40Å' 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=6OOK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6OOK FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6ook]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6OOK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6OOK 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=6ook FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ook OCA], [https://pdbe.org/6ook PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6ook RCSB], [https://www.ebi.ac.uk/pdbsum/6ook PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6ook ProSAT]</span></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]] 1.4Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MZV:3-(pyridin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide'>MZV</scene>, <scene name='pdbligand=PCA:PYROGLUTAMIC+ACID'>PCA</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</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=6ook FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ook OCA], [https://pdbe.org/6ook PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6ook RCSB], [https://www.ebi.ac.uk/pdbsum/6ook PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6ook ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/Q9L5C7_ECOLX Q9L5C7_ECOLX]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Compared to aryl-aryl pi-stacking interactions, the analogous stacking of heteroarenes on amide pi systems is less well understood and vastly underutilized in structure-based drug design. Recent theoretical studies have delineated the important geometric coordinates of the interaction, some of which have been confirmed with synthetic model systems based on Rebek imides. Unfortunately, a broadly useful and tractable protein-ligand model system of this interaction has remained elusive. Here we employed a known inhibitor scaffold to study pi-stacking of diverse heteroarene substituents on the amide face of Gly238 in the cephalosporinases CTX-M-14 and CTX-M-27. Biochemical inhibition constants (K i) and biophysical binding constants (K d) were determined for nineteen new analogues against both enzymes, while multiple high-resolution co-crystal structures revealed remarkably consistent placement of the probe heteroarene on Gly238. The data presented support the predicted importance of opposing dipoles in amide-heteroarene interactions and should be useful for evaluating other theoretical predictions concerning these interactions.
		+
		+	An Empirical Study of Amide-Heteroarene pi-Stacking Interactions Using Reversible Inhibitors of a Bacterial Serine Hydrolase.,DeFrees K, Kemp MT, ElHilali-Pollard X, Zhang X, Mohamed A, Chen Y, Renslo AR Org Chem Front. 2019 Jun 7;6(11):1749-1756. doi: 10.1039/c9qo00342h. Epub 2019, May 15. PMID:32774871<ref>PMID:32774871</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6ook" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Beta-lactamase 3D structures\|Beta-lactamase 3D structures]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Escherichia coli]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Chen Y]]		[[Category: Chen Y]]
	[[Category: Kemp M]]		[[Category: Kemp M]]

OCA at 08:51, 18 February 2021

OCA — Thu, 18 Feb 2021 08:51:34 GMT

←Older revision		Revision as of 08:51, 18 February 2021
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	<StructureSection load='6ook' size='340' side='right'caption='[[6ook]]' scene=''>		<StructureSection load='6ook' size='340' side='right'caption='[[6ook]]' 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=6OOK OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6OOK FirstGlance]. <br>	+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6OOK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6OOK FirstGlance]. <br>
-	</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=6ook FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ook OCA], [~~http~~://pdbe.org/6ook PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6ook RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6ook PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6ook ProSAT]</span></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=6ook FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ook OCA], [https://pdbe.org/6ook PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6ook RCSB], [https://www.ebi.ac.uk/pdbsum/6ook PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6ook ProSAT]</span></td></tr>
	</table>		</table>
	__TOC__		__TOC__

OCA at 11:23, 26 August 2020

OCA — Wed, 26 Aug 2020 11:23:53 GMT

←Older revision		Revision as of 11:23, 26 August 2020
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-	'''Unreleased structure'''

-	~~The entry~~ 6ook ~~is ON HOLD until Paper Publication~~	+	==CTX-M-14 Beta Lactamase with Compound 3==
-		+	<StructureSection load='6ook' size='340' side='right'caption='[[6ook]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6OOK OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6OOK FirstGlance]. <br>
-	~~Description~~:	+	</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=6ook FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ook OCA], [http://pdbe.org/6ook PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6ook RCSB], [http://www.ebi.ac.uk/pdbsum/6ook PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6ook ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Chen Y]]
		+	[[Category: Kemp M]]

OCA at 03:59, 22 May 2019

OCA — Wed, 22 May 2019 03:59:10 GMT

←Older revision		Revision as of 03:59, 22 May 2019
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	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors:		Authors:

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

OCA — Wed, 01 May 2019 07:14:06 GMT

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

←Older revision

Revision as of 07:14, 1 May 2019

OCA: New page: '''Unreleased structure''' The entry 6ook is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 01 May 2019 07:14:04 GMT

New page: '''Unreleased structure''' The entry 6ook is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 6ook is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]