7tbx - Revision history

OCA at 17:03, 18 October 2023

2023-10-18T17:03:14Z

←Older revision		Revision as of 17:03, 18 October 2023
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	<StructureSection load='7tbx' size='340' side='right'caption='[[7tbx]], [[Resolution\|resolution]] 3.16Å' scene=''>		<StructureSection load='7tbx' size='340' side='right'caption='[[7tbx]], [[Resolution\|resolution]] 3.16Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[7tbx]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7TBX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7TBX FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7tbx]] is a 2 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=7TBX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7TBX FirstGlance]. <br>
-	</td></tr><tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"~~><div style='overflow: auto; max-height: 3em;'>[[7tb7\|7tb7]]</div></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]] 3.16Å</td></tr>
-	~~<tr~~ id~~='activity'><td class~~="~~sblockLbl~~">~~<b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Beta~~-~~lactamase Beta-lactamase]~~, ~~with EC number~~ [~~https://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'>[https://proteopedia.org/fgij/fg.htm?mol=7tbx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7tbx OCA], [https://pdbe.org/7tbx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7tbx RCSB], [https://www.ebi.ac.uk/pdbsum/7tbx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7tbx 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=7tbx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7tbx OCA], [https://pdbe.org/7tbx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7tbx RCSB], [https://www.ebi.ac.uk/pdbsum/7tbx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7tbx ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/BLKPC_KLEPN BLKPC_KLEPN]] Hydrolyzes carbapenems, penicillins, cephalosporins and monobactams with varying efficiency.	+	[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 7tbx" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 7tbx" 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: Akker, F van den]]~~	+	[[Category: Alsenani T]]
-	[[Category: Alsenani, T]]	+	[[Category: Van den Akker F]]
-	[[Category: ~~Antibiotic resistance]]~~	+
-	~~[[Category: Hydrolase~~]]	+

OCA at 10:23, 13 April 2022

2022-04-13T10:23:12Z

←Older revision		Revision as of 10:23, 13 April 2022
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	==Crystal structure of D179Y KPC-2 beta-lactamase==		==Crystal structure of D179Y KPC-2 beta-lactamase==
-	<StructureSection load='7tbx' size='340' side='right'caption='[[7tbx]]' scene=''>	+	<StructureSection load='7tbx' size='340' side='right'caption='[[7tbx]], [[Resolution\|resolution]] 3.16Å' 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=7TBX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7TBX FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7tbx]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7TBX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7TBX 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=7tbx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7tbx OCA], [https://pdbe.org/7tbx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7tbx RCSB], [https://www.ebi.ac.uk/pdbsum/7tbx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7tbx ProSAT]</span></td></tr>	+	</td></tr><tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[7tb7\|7tb7]]</div></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Beta-lactamase Beta-lactamase], with EC number [https://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'>[https://proteopedia.org/fgij/fg.htm?mol=7tbx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7tbx OCA], [https://pdbe.org/7tbx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7tbx RCSB], [https://www.ebi.ac.uk/pdbsum/7tbx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7tbx 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;">
		+	== Publication Abstract from PubMed ==
		+	Klebsiella pneumoniae carbapenemases (KPC-2 and KPC-3) present a global clinical threat, as these beta-lactamases confer resistance to carbapenems and oxyimino-cephalosporins. Recent clinically identified KPC variants with substitutions at Ambler position D179, located in the Omega loop, are resistant to the beta-lactam/beta-lactamase inhibitor combination ceftazidime-avibactam, but susceptible to meropenem-vaborbactam. To gain insights into ceftazidime-avibactam resistance conferred by D179N/Y variants of KPC-2, crystal structures of these variants were determined. The D179N KPC-2 structure revealed that the change of the carboxyl to an amide moiety at position 179 disrupted the salt bridge with R164 present in wild-type KPC-2. Additional interactions were disrupted in the Omega loop, causing a decrease in the melting temperature. Shifts originating from N179 were also transmitted toward the active site, including approximately 1-A shifts of the deacylation water and interacting residue N170. The structure of the D179Y KPC-2 beta-lactamase revealed more drastic changes, as this variant exhibited disorder of the Omega loop, with other flanking regions also being disordered. We postulate that the KPC-2 variants can accommodate ceftazidime because the Omega loop is displaced in D179Y or can be more readily displaced in D179N KPC-2. To understand why the beta-lactamase inhibitor vaborbactam is less affected by the D179 variants than avibactam, we determined the crystal structure of D179N KPC-2 in complex with vaborbactam, which revealed wild-type KPC-2-like vaborbactam-active site interactions. Overall, the structural results regarding KPC-2 D179 variants revealed various degrees of destabilization of the Omega loop that contribute to ceftazidime-avibactam resistance, possible substrate-assisted catalysis of ceftazidime, and meropenem and meropenem-vaborbactam susceptibility.
		+
		+	Structural Characterization of the D179N and D179Y Variants of KPC-2 beta-Lactamase: Omega-Loop Destabilization as a Mechanism of Resistance to Ceftazidime-Avibactam.,Alsenani TA, Viviani SL, Kumar V, Taracila MA, Bethel CR, Barnes MD, Papp-Wallace KM, Shields RK, Nguyen MH, Clancy CJ, Bonomo RA, van den Akker F Antimicrob Agents Chemother. 2022 Mar 28:e0241421. doi: 10.1128/aac.02414-21. PMID:35341315<ref>PMID:35341315</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7tbx" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Beta-lactamase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Alsenani T]]	+	[[Category: Akker, F van den]]
-	[[Category: ~~Van den Akker F~~]]	+	[[Category: Alsenani, T]]
		+	[[Category: Antibiotic resistance]]
		+	[[Category: Hydrolase]]

OCA at 06:22, 2 March 2022

2022-03-02T06:22:31Z

←Older revision		Revision as of 06:22, 2 March 2022
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-	'''Unreleased structure'''

-	~~The entry~~ 7tbx ~~is ON HOLD until Paper Publication~~	+	==Crystal structure of D179Y KPC-2 beta-lactamase==
-		+	<StructureSection load='7tbx' size='340' side='right'caption='[[7tbx]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7TBX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7TBX FirstGlance]. <br>
-	~~Description~~:	+	</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=7tbx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7tbx OCA], [https://pdbe.org/7tbx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7tbx RCSB], [https://www.ebi.ac.uk/pdbsum/7tbx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7tbx ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Alsenani T]]
		+	[[Category: Van den Akker F]]

OCA at 05:34, 2 February 2022

2022-02-02T05:34:43Z

←Older revision		Revision as of 05:34, 2 February 2022
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7tbx is ON HOLD	+	The entry 7tbx is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "7tbx" [edit=sysop:move=sysop]

2021-12-29T12:11:32Z

Protected "7tbx" [edit=sysop:move=sysop]

←Older revision

Revision as of 12:11, 29 December 2021

OCA: New page: '''Unreleased structure''' The entry 7tbx is ON HOLD Authors: Description: Category: Unreleased Structures

2021-12-29T12:11:31Z

New page: '''Unreleased structure''' The entry 7tbx is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 7tbx is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]