4u0t - Revision history

OCA at 00:49, 28 December 2023

OCA — Thu, 28 Dec 2023 00:49:06 GMT

←Older revision		Revision as of 00:49, 28 December 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4u0t]] is a 8 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=4U0T OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4U0T FirstGlance]. <br>		<table><tr><td colspan='2'>[[4u0t]] is a 8 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=4U0T OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4U0T FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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]] 1.73Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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=4u0t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4u0t OCA], [https://pdbe.org/4u0t PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4u0t RCSB], [https://www.ebi.ac.uk/pdbsum/4u0t PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4u0t 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=4u0t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4u0t OCA], [https://pdbe.org/4u0t PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4u0t RCSB], [https://www.ebi.ac.uk/pdbsum/4u0t PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4u0t ProSAT]</span></td></tr>
	</table>		</table>

OCA at 07:55, 22 March 2023

OCA — Wed, 22 Mar 2023 07:55:39 GMT

←Older revision		Revision as of 07:55, 22 March 2023
Line 3:		Line 3:
	<StructureSection load='4u0t' size='340' side='right'caption='[[4u0t]], [[Resolution\|resolution]] 1.73Å' scene=''>		<StructureSection load='4u0t' size='340' side='right'caption='[[4u0t]], [[Resolution\|resolution]] 1.73Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4u0t]] is a 8 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=4U0T OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4U0T FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4u0t]] is a 8 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=4U0T OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4U0T FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><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=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4u0x\|4u0x]]</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=4u0t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4u0t OCA], [https://pdbe.org/4u0t PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4u0t RCSB], [https://www.ebi.ac.uk/pdbsum/4u0t PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4u0t ProSAT]</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>	+
-	<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=4u0t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4u0t OCA], [~~http~~://pdbe.org/4u0t PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4u0t RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4u0t PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4u0t 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 ==
Line 25:		Line 25:
	__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: Cephalosporinase]]~~	+
-	~~[[Category: Hydrolase~~]]	+

OCA at 10:46, 26 February 2020

OCA — Wed, 26 Feb 2020 10:46:49 GMT

←Older revision		Revision as of 10:46, 26 February 2020
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	==Crystal structure of ADC-7 beta-lactamase==		==Crystal structure of ADC-7 beta-lactamase==
-	<StructureSection load='4u0t' size='340' side='right' caption='[[4u0t]], [[Resolution\|resolution]] 1.73Å' scene=''>	+	<StructureSection load='4u0t' size='340' side='right'caption='[[4u0t]], [[Resolution\|resolution]] 1.73Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4u0t]] is a 8 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=4U0T OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4U0T FirstGlance]. <br>		<table><tr><td colspan='2'>[[4u0t]] is a 8 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=4U0T OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4U0T FirstGlance]. <br>
Line 18:		Line 18:
	</div>		</div>
	<div class="pdbe-citations 4u0t" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4u0t" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Beta-lactamase 3D structures\|Beta-lactamase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 24:		Line 27:
	[[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]]
	[[Category: Cephalosporinase]]		[[Category: Cephalosporinase]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]

OCA at 12:06, 6 November 2017

OCA — Mon, 06 Nov 2017 12:06:08 GMT

←Older revision		Revision as of 12:06, 6 November 2017
Line 3:		Line 3:
	<StructureSection load='4u0t' size='340' side='right' caption='[[4u0t]], [[Resolution\|resolution]] 1.73Å' scene=''>		<StructureSection load='4u0t' size='340' side='right' caption='[[4u0t]], [[Resolution\|resolution]] 1.73Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4u0t]] is a 8 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4U0T OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4U0T FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4u0t]] is a 8 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=4U0T OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4U0T FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><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"><scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4u0x\|4u0x]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4u0x\|4u0x]]</td></tr>
Line 18:		Line 18:
	</div>		</div>
	<div class="pdbe-citations 4u0t" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4u0t" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Beta-lactamase\|Beta-lactamase]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Aciba]]
	[[Category: Beta-lactamase]]		[[Category: Beta-lactamase]]
	[[Category: Powers, R A]]		[[Category: Powers, R A]]

OCA at 15:05, 11 August 2016

OCA — Thu, 11 Aug 2016 15:05:50 GMT

←Older revision		Revision as of 15:05, 11 August 2016
Line 1:		Line 1:
		+
	==Crystal structure of ADC-7 beta-lactamase==		==Crystal structure of ADC-7 beta-lactamase==
	<StructureSection load='4u0t' size='340' side='right' caption='[[4u0t]], [[Resolution\|resolution]] 1.73Å' scene=''>		<StructureSection load='4u0t' size='340' side='right' caption='[[4u0t]], [[Resolution\|resolution]] 1.73Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4u0x\|4u0x]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4u0x\|4u0x]]</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>
-	<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=4u0t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4u0t OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4u0t RCSB], [http://www.ebi.ac.uk/pdbsum/4u0t PDBsum]</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=4u0t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4u0t OCA], [http://pdbe.org/4u0t PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4u0t RCSB], [http://www.ebi.ac.uk/pdbsum/4u0t PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4u0t ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 16:		Line 17:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 4u0t" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Beta-lactamase\|Beta-lactamase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 12:45, 19 November 2014

OCA — Wed, 19 Nov 2014 12:45:22 GMT

←Older revision		Revision as of 12:45, 19 November 2014
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Crystal structure of ADC-7 beta-lactamase==
		+	<StructureSection load='4u0t' size='340' side='right' caption='[[4u0t]], [[Resolution\|resolution]] 1.73Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4u0t]] is a 8 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4U0T OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4U0T FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4u0x\|4u0x]]</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=4u0t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4u0t OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4u0t RCSB], [http://www.ebi.ac.uk/pdbsum/4u0t PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	beta-lactam resistance in Acinetobacter baumannii presents one of the greatest challenges to contemporary antimicrobial chemotherapy. Much of this resistance to cephalosporins derives from the expression of the class C beta-lactamase enzymes, known as Acinetobacter-derived cephalosporinases (ADCs). Currently, beta-lactamase inhibitors are structurally similar to beta-lactam substrates and are not effective inactivators of this class C cephalosporinase. Herein, two boronic acid transition state inhibitors (BATSIs S02030 and SM23) that are chemically distinct from beta-lactams were designed and tested for inhibition of ADC enzymes. BATSIs SM23 and S02030 bind with high affinity to ADC-7, a chromosomal cephalosporinase from Acinetobacter baumannii (Ki = 21.1 +/- 1.9 nM and 44.5 +/- 2.2 nM, respectively). The X-ray crystal structures of ADC-7 were determined in both the apo form (1.73 A resolution) and in complex with S02030 (2.0 A resolution). In the complex, S02030 makes several canonical interactions: the O1 oxygen of S02030 is bound in the oxyanion hole, and the R1 amide group makes key interactions with conserved residues Asn152 and Gln120. In addition, the carboxylate group of the inhibitor is meant to mimic the C3/C4 carboxylate found in beta-lactams. The C3/C4 carboxylate recognition site in class C enzymes is comprised of Asn346 and Arg349 (AmpC numbering), and these residues are conserved in ADC-7. Interestingly, in the ADC-7/S02030 complex, the inhibitor carboxylate group is observed to interact with Arg340, a residue that distinguishes ADC-7 from the related class C enzyme AmpC. A thermodynamic analysis suggests that DeltaH driven compounds may be optimized to generate new lead agents. The ADC-7/BATSI complex provides insight into recognition of non-beta-lactam inhibitors by ADC enzymes and offers a starting point for the structure-based optimization of this class of novel beta-lactamase inhibitors against a key resistance target.

-	~~The entry 4u0t is ON HOLD until Paper Publication~~	+	Biochemical and structural analysis of inhibitors targeting the ADC-7 cephalosporinase of Acinetobacter baumannii.,Powers RA, Swanson HC, Taracila MA, Florek NW, Romagnoli C, Caselli E, Prati F, Bonomo RA, Wallar BJ Biochemistry. 2014 Nov 7. PMID:25380506<ref>PMID:25380506</ref>

-	~~Authors~~: Powers, R.A., Wallar, B.J.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: ~~Crystal structure of ADC-7 beta-lactamase~~	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Beta-lactamase]]
		+	[[Category: Powers, R A]]
		+	[[Category: Wallar, B J]]
		+	[[Category: Cephalosporinase]]
		+	[[Category: Hydrolase]]

OCA: Protected "4u0t" [edit=sysop:move=sysop]

OCA — Wed, 23 Jul 2014 07:24:30 GMT

Protected "4u0t" [edit=sysop:move=sysop]

←Older revision

Revision as of 07:24, 23 July 2014

OCA: New page: '''Unreleased structure''' The entry 4u0t is ON HOLD until Paper Publication Authors: Powers, R.A., Wallar, B.J. Description: Crystal structure of ADC-7 beta-lactamase

OCA — Wed, 23 Jul 2014 07:24:29 GMT

New page: '''Unreleased structure''' The entry 4u0t is ON HOLD until Paper Publication Authors: Powers, R.A., Wallar, B.J. Description: Crystal structure of ADC-7 beta-lactamase

New page

'''Unreleased structure'''

The entry 4u0t is ON HOLD until Paper Publication

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

Description: Crystal structure of ADC-7 beta-lactamase