5waf - Revision history

OCA at 14:09, 4 October 2023

2023-10-04T14:09:38Z

←Older revision		Revision as of 14:09, 4 October 2023
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	<StructureSection load='5waf' size='340' side='right'caption='[[5waf]], [[Resolution\|resolution]] 2.03Å' scene=''>		<StructureSection load='5waf' size='340' side='right'caption='[[5waf]], [[Resolution\|resolution]] 2.03Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5waf]] is a 4 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Aciba Aciba~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WAF OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5WAF FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5waf]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Acinetobacter_baumannii Acinetobacter baumannii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WAF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5WAF FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat">~~<scene name='pdbligand=A0Y:phosphonooxy~~-[[~~[4-(1~{H}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl~~]~~sulfonylamino~~]~~methyl]borinic+acid'>A0Y</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]] 2.03Å</td></tr>
-	<tr id='~~activity~~'><td class="sblockLbl"><b>~~Activity~~:</b></td><td class="sblockDat"><~~span class~~='~~plainlinks'>[http~~:~~//en.wikipedia.org/wiki/Beta-lactamase Beta~~-~~lactamase], with EC number~~ [~~http://www.brenda~~-~~enzymes.info/php/result_flat.php4?ecno=3.5.~~2.6 3.5.2.6] </~~span~~></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=A0Y:phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]borinic+acid'>A0Y</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=5waf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5waf OCA], [~~http~~://pdbe.org/5waf PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5waf RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5waf PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5waf 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=5waf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5waf OCA], [https://pdbe.org/5waf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5waf RCSB], [https://www.ebi.ac.uk/pdbsum/5waf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5waf ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/Q6DRA1_ACIBA Q6DRA1_ACIBA]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Aciba]]~~	+	[[Category: Acinetobacter baumannii]]
-	~~[[Category: Beta-lactamase~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Powers~~, R A~~]]	+	[[Category: Powers RA]]
-	[[Category: Wallar~~, B J]]~~	+	[[Category: Wallar BJ]]
-	~~[[Category: Adc-7]]~~	+
-	~~[[Category: Antimicrobial protein]]~~	+
-	~~[[Category: Batsi]]~~	+
-	~~[[Category: Hydrolase-hydrolase inhibitor complex]]~~	+
-	~~[[Category: Inhibitor~~]]	+

OCA at 17:33, 11 December 2019

2019-12-11T17:33:05Z

←Older revision		Revision as of 17:33, 11 December 2019
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	==ADC-7 in complex with boronic acid transition state inhibitor CR192==		==ADC-7 in complex with boronic acid transition state inhibitor CR192==
-	<StructureSection load='5waf' size='340' side='right' caption='[[5waf]], [[Resolution\|resolution]] 2.03Å' scene=''>	+	<StructureSection load='5waf' size='340' side='right'caption='[[5waf]], [[Resolution\|resolution]] 2.03Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5waf]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Aciba Aciba]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WAF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5WAF FirstGlance]. <br>		<table><tr><td colspan='2'>[[5waf]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Aciba Aciba]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WAF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5WAF FirstGlance]. <br>
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	</div>		</div>
	<div class="pdbe-citations 5waf" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5waf" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Beta-lactamase 3D structures\|Beta-lactamase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
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	[[Category: Aciba]]		[[Category: Aciba]]
	[[Category: Beta-lactamase]]		[[Category: Beta-lactamase]]
		+	[[Category: Large Structures]]
	[[Category: Powers, R A]]		[[Category: Powers, R A]]
	[[Category: Wallar, B J]]		[[Category: Wallar, B J]]

OCA at 06:43, 20 December 2017

2017-12-20T06:43:49Z

←Older revision		Revision as of 06:43, 20 December 2017
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	<StructureSection load='5waf' size='340' side='right' caption='[[5waf]], [[Resolution\|resolution]] 2.03Å' scene=''>		<StructureSection load='5waf' size='340' side='right' caption='[[5waf]], [[Resolution\|resolution]] 2.03Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5waf]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WAF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5WAF FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5waf]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Aciba Aciba]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WAF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5WAF FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=A0Y:phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]borinic+acid'>A0Y</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=A0Y:phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]borinic+acid'>A0Y</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-lactamase Beta-lactamase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.2.6 3.5.2.6] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-lactamase Beta-lactamase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.2.6 3.5.2.6] </span></td></tr>
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Aciba]]
	[[Category: Beta-lactamase]]		[[Category: Beta-lactamase]]
	[[Category: Powers, R A]]		[[Category: Powers, R A]]

OCA at 07:17, 6 December 2017

2017-12-06T07:17:23Z

←Older revision		Revision as of 07:17, 6 December 2017
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-	'''Unreleased structure'''

-	~~The entry~~ 5waf is ~~ON HOLD until Paper~~ Publication	+	==ADC-7 in complex with boronic acid transition state inhibitor CR192==
		+	<StructureSection load='5waf' size='340' side='right' caption='[[5waf]], [[Resolution\|resolution]] 2.03Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5waf]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WAF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5WAF FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=A0Y:phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]borinic+acid'>A0Y</scene></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-lactamase Beta-lactamase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.2.6 3.5.2.6] </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=5waf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5waf OCA], [http://pdbe.org/5waf PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5waf RCSB], [http://www.ebi.ac.uk/pdbsum/5waf PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5waf ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Acinetobacter baumannii is a multidrug resistant pathogen that infects more than 12,000 patients each year in the US. Much of the resistance to beta-lactam antibiotics in Acinetobacter spp. is a result of class C beta-lactamases known as Acinetobacter-derived cephalosporinases (ADCs). ADCs are unaffected by clinically used -lactam-based beta-lactamase inhibitors. In this study, five boronic acid transition state analog inhibitors (BATSIs) were evaluated for inhibition of the class C cephalosporinase ADC-7. Our goal was to explore the properties of BATSIs designed to probe the R1 binding site. Ki values ranged from low micromolar to sub-nanomolar, and circular dichroism (CD) demonstrated that each inhibitor stabilizes the beta-lactamase-inhibitor complexes. Additionally, X-ray crystal structures of ADC-7 in complex with five inhibitors were determined (resolutions from 1.80-2.09 A). In the ADC-7/CR192 complex, the BATSI with the lowest Ki (0.45 nM) and greatest DeltaTm (+9 degrees C), a trifluoromethyl substituent interacts with Arg340. Arg340 is unique to ADCs and may play an important role in the inhibition of ADC-7. The ADC-7/BATSI complexes determined in this study shed light into the unique recognition sites in ADC enzymes, and also offer insight into further structure-based optimization of these inhibitors.

-	~~Authors: Powers~~, ~~R.A~~., ~~Wallar~~, B.J.	+	Structure-based analysis of boronic acids as inhibitors of Acinetobacter-derived cephalosporinase-7 (ADC-7), a unique class C beta-lactamase.,Bouza AA, Swanson HC, Smolen KA, VanDine AL, Taracila MA, Romagnoli C, Caselli E, Prati F, Bonomo RA, Powers RA, Wallar BJ ACS Infect Dis. 2017 Nov 16. doi: 10.1021/acsinfecdis.7b00152. PMID:29144724<ref>PMID:29144724</ref>

-	~~Description~~: ~~ADC~~-~~7 in complex with boronic acid transition state inhibitor CR192~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
-	[[Category: Wallar, B.J]]	+	<div class="pdbe-citations 5waf" style="background-color:#fffaf0;"></div>
-	[[Category: ~~Powers, R.A~~]]	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Beta-lactamase]]
		+	[[Category: Powers, R A]]
		+	[[Category: Wallar, B J]]
		+	[[Category: Adc-7]]
		+	[[Category: Antimicrobial protein]]
		+	[[Category: Batsi]]
		+	[[Category: Hydrolase-hydrolase inhibitor complex]]
		+	[[Category: Inhibitor]]

OCA at 05:32, 25 October 2017

2017-10-25T05:32:30Z

←Older revision		Revision as of 05:32, 25 October 2017
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5waf is ON HOLD	+	The entry 5waf is ON HOLD until Paper Publication

	Authors: Powers, R.A., Wallar, B.J.		Authors: Powers, R.A., Wallar, B.J.

OCA: Protected "5waf" [edit=sysop:move=sysop]

2017-09-27T14:37:23Z

Protected "5waf" [edit=sysop:move=sysop]

←Older revision

Revision as of 14:37, 27 September 2017

OCA: New page: '''Unreleased structure''' The entry 5waf is ON HOLD Authors: Powers, R.A., Wallar, B.J. Description: ADC-7 in complex with boronic acid transition state inhibitor CR192 [[Category: Un...

2017-09-27T14:37:22Z

New page: '''Unreleased structure''' The entry 5waf is ON HOLD Authors: Powers, R.A., Wallar, B.J. Description: ADC-7 in complex with boronic acid transition state inhibitor CR192 [[Category: Un...

New page

'''Unreleased structure'''

The entry 5waf is ON HOLD

Authors: Powers, R.A., Wallar, B.J.

Description: ADC-7 in complex with boronic acid transition state inhibitor CR192
[[Category: Unreleased Structures]]
[[Category: Wallar, B.J]]
[[Category: Powers, R.A]]