6qwd - Revision history

OCA at 12:09, 24 January 2024

2024-01-24T12:09:51Z

←Older revision		Revision as of 12:09, 24 January 2024
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	<StructureSection load='6qwd' size='340' side='right'caption='[[6qwd]], [[Resolution\|resolution]] 1.20Å' scene=''>		<StructureSection load='6qwd' size='340' side='right'caption='[[6qwd]], [[Resolution\|resolution]] 1.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6qwd]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6QWD OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6QWD FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6qwd]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Klebsiella_pneumoniae Klebsiella pneumoniae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6QWD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6QWD FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat"~~><scene name~~=~~'pdbligand=GOL:GLYCEROL'>GOL</scene~~>, ~~<scene name='pdbligand=SO4:SULFATE+ION'>SO4</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]] 1.2Å</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=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=6qwd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qwd OCA], [~~http~~://pdbe.org/6qwd PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6qwd RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6qwd PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6qwd 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=6qwd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qwd OCA], [https://pdbe.org/6qwd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6qwd RCSB], [https://www.ebi.ac.uk/pdbsum/6qwd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6qwd ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/BLKPC_KLEPN BLKPC_KLEPN] Hydrolyzes carbapenems, penicillins, cephalosporins and monobactams with varying efficiency.
	<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 6qwd" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6qwd" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Beta-lactamase 3D structures\|Beta-lactamase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Beta-lactamase~~]]	+	[[Category: Klebsiella pneumoniae]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Hinchliffe, P]]	+	[[Category: Hinchliffe P]]
-	[[Category: Spencer, J]]	+	[[Category: Spencer J]]
-	[[Category: Tooke~~, C L]]~~	+	[[Category: Tooke CL]]
-	~~[[Category: Antibiotic resistance]]~~	+
-	~~[[Category: Antimicrobial protein]]~~	+
-	~~[[Category: Serine beta-lactamase~~]]	+

OCA at 06:10, 21 August 2019

2019-08-21T06:10:54Z

←Older revision		Revision as of 06:10, 21 August 2019
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-	'''Unreleased structure'''

-	~~The entry~~ 6qwd is ~~ON HOLD until Paper~~ Publication	+	==Crystal structure of KPC-3==
		+	<StructureSection load='6qwd' size='340' side='right'caption='[[6qwd]], [[Resolution\|resolution]] 1.20Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6qwd]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6QWD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6QWD FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=6qwd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qwd OCA], [http://pdbe.org/6qwd PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6qwd RCSB], [http://www.ebi.ac.uk/pdbsum/6qwd PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6qwd ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	beta-Lactamase production is the major beta-lactam resistance mechanism in Gram-negative bacteria. beta-Lactamase inhibitors (BLIs) efficacious against serine beta-lactamase (SBL) producers, especially strains carrying the widely disseminated class A enzymes, are required. Relebactam, a diazabicyclooctane (DBO) BLI is in phase-3 clinical trials in combination with imipenem, for treatment of infections by multi-drug resistant Enterobacteriaceae. We show that relebactam inhibits five clinically-important class A SBLs (despite their differing spectra of activity), representing both chromosomal and plasmid-borne enzymes, i.e. the extended spectrum beta-lactamases L2 (inhibition constant 3 muM) and CTX-M-15 (21 muM); and the carbapenemases, KPC-2, -3 and -4 (1 - 5 muM). Against purified class A SBLs, relebactam is an inferior inhibitor compared to the clinically approved DBO avibactam, (9 to 120-fold differences in IC50). Minimum inhibitory concentration assays indicate relebactam potentiates beta-lactam (imipenem) activity against KPC-producing Klebsiella pneumoniae with similar potency to avibactam (with ceftazidime). Relebactam is less effective than avibactam in combination with aztreonam against Stenotrophomonas maltophilia K279a. X-ray crystal structures of relebactam bound to CTX-M-15, L2, KPC-2, KPC-3 and KPC-4 reveal its C2 linked piperidine ring can sterically clash with Asn104 (CTX-M-15) or His/Trp105 (L2 and KPCs), rationalizing its poorer inhibition activity compared to avibactam, which has a smaller C2 carboxyamide group. Mass spectrometry and crystallographic data show slow, pH-dependent relebactam desulfation by KPC-2, -3 and -4. This comprehensive comparison of relebactam binding across five clinically-important class A SBLs will inform the design of future DBOs with the aim of improving clinical efficacy of BLI:beta-lactam combinations.

-	~~Authors~~:	+	Molecular Basis of Class A beta-lactamase Inhibition by Relebactam.,Tooke CL, Hinchliffe P, Lang PA, Mulholland AJ, Brem J, Schofield CJ, Spencer J Antimicrob Agents Chemother. 2019 Aug 5. pii: AAC.00564-19. doi:, 10.1128/AAC.00564-19. PMID:31383664<ref>PMID:31383664</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
		+	<div class="pdbe-citations 6qwd" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Beta-lactamase]]
		+	[[Category: Large Structures]]
		+	[[Category: Hinchliffe, P]]
		+	[[Category: Spencer, J]]
		+	[[Category: Tooke, C L]]
		+	[[Category: Antibiotic resistance]]
		+	[[Category: Antimicrobial protein]]
		+	[[Category: Serine beta-lactamase]]

OCA at 06:06, 20 March 2019

2019-03-20T06:06:28Z

←Older revision		Revision as of 06:06, 20 March 2019
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	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors:		Authors:

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

2019-03-13T10:27:40Z

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

←Older revision

Revision as of 10:27, 13 March 2019

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

2019-03-13T10:27:38Z

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

New page

'''Unreleased structure'''

The entry 6qwd is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]