6q9n - Revision history

OCA at 11:56, 24 January 2024

OCA — Wed, 24 Jan 2024 11:56:12 GMT

←Older revision		Revision as of 11:56, 24 January 2024
Line 3:		Line 3:
	<StructureSection load='6q9n' size='340' side='right'caption='[[6q9n]], [[Resolution\|resolution]] 2.50Å' scene=''>		<StructureSection load='6q9n' size='340' side='right'caption='[[6q9n]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6q9n]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Staam Staam~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Q9N OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6Q9N FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6q9n]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Staphylococcus_aureus_subsp._aureus_Mu50 Staphylococcus aureus subsp. aureus Mu50]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Q9N OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6Q9N FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CD:CADMIUM+ION'>CD</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=JPP:PIPERACILLIN+(OPEN+FORM)'>JPP</scene>, <scene name='pdbligand=MUR:MURAMIC+ACID'>MUR</scene>, <scene name='pdbligand=QLN:3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic+acid'>QLN</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]] 2.5Å</td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">mecA, SAV0041 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=158878 STAAM])~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CD:CADMIUM+ION'>CD</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=JPP:PIPERACILLIN+(OPEN+FORM)'>JPP</scene>, <scene name='pdbligand=MUR:MURAMIC+ACID'>MUR</scene>, <scene name='pdbligand=QLN:3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic+acid'>QLN</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=6q9n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6q9n OCA], [https://pdbe.org/6q9n PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6q9n RCSB], [https://www.ebi.ac.uk/pdbsum/6q9n PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6q9n 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=6q9n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6q9n OCA], [https://pdbe.org/6q9n PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6q9n RCSB], [https://www.ebi.ac.uk/pdbsum/6q9n PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6q9n ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A0A0H3JPA5_STAAM A0A0H3JPA5_STAAM]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 25:		Line 27:
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Staam~~]]	+	[[Category: Staphylococcus aureus subsp. aureus Mu50]]
-	[[Category: Batuecas~~, M T~~]]	+	[[Category: Batuecas MT]]
-	[[Category: Hermoso~~, J A~~]]	+	[[Category: Hermoso JA]]
-	[[Category: Martinez-Caballero, S]]	+	[[Category: Martinez-Caballero S]]
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Penicillin binding protein~~]]	+

OCA at 11:04, 30 March 2022

OCA — Wed, 30 Mar 2022 11:04:13 GMT

←Older revision		Revision as of 11:04, 30 March 2022
Line 3:		Line 3:
	<StructureSection load='6q9n' size='340' side='right'caption='[[6q9n]], [[Resolution\|resolution]] 2.50Å' scene=''>		<StructureSection load='6q9n' size='340' side='right'caption='[[6q9n]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6q9n]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Staam Staam]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Q9N OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6Q9N FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6q9n]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Staam Staam]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Q9N OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6Q9N FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CD:CADMIUM+ION'>CD</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=JPP:PIPERACILLIN+(OPEN+FORM)'>JPP</scene>, <scene name='pdbligand=MUR:MURAMIC+ACID'>MUR</scene>, <scene name='pdbligand=QLN:3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic+acid'>QLN</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CD:CADMIUM+ION'>CD</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=JPP:PIPERACILLIN+(OPEN+FORM)'>JPP</scene>, <scene name='pdbligand=MUR:MURAMIC+ACID'>MUR</scene>, <scene name='pdbligand=QLN:3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic+acid'>QLN</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">mecA, SAV0041 ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=158878 STAAM])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">mecA, SAV0041 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=158878 STAAM])</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=6q9n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6q9n OCA], [~~http~~://pdbe.org/6q9n PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6q9n RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6q9n PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6q9n 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=6q9n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6q9n OCA], [https://pdbe.org/6q9n PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6q9n RCSB], [https://www.ebi.ac.uk/pdbsum/6q9n PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6q9n ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 17:		Line 17:
	</div>		</div>
	<div class="pdbe-citations 6q9n" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6q9n" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Penicillin-binding protein 3D structures\|Penicillin-binding protein 3D structures]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 09:51, 9 September 2020

OCA — Wed, 09 Sep 2020 09:51:14 GMT

←Older revision		Revision as of 09:51, 9 September 2020
Line 3:		Line 3:
	<StructureSection load='6q9n' size='340' side='right'caption='[[6q9n]], [[Resolution\|resolution]] 2.50Å' scene=''>		<StructureSection load='6q9n' size='340' side='right'caption='[[6q9n]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6q9n]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Q9N OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6Q9N FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6q9n]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Staam Staam]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Q9N OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6Q9N FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CD:CADMIUM+ION'>CD</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=JPP:PIPERACILLIN+(OPEN+FORM)'>JPP</scene>, <scene name='pdbligand=MUR:MURAMIC+ACID'>MUR</scene>, <scene name='pdbligand=QLN:3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic+acid'>QLN</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CD:CADMIUM+ION'>CD</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=JPP:PIPERACILLIN+(OPEN+FORM)'>JPP</scene>, <scene name='pdbligand=MUR:MURAMIC+ACID'>MUR</scene>, <scene name='pdbligand=QLN:3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic+acid'>QLN</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=6q9n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6q9n OCA], [http://pdbe.org/6q9n PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6q9n RCSB], [http://www.ebi.ac.uk/pdbsum/6q9n PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6q9n ProSAT]</span></td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">mecA, SAV0041 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=158878 STAAM])</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=6q9n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6q9n OCA], [http://pdbe.org/6q9n PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6q9n RCSB], [http://www.ebi.ac.uk/pdbsum/6q9n PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6q9n ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 21:		Line 22:
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
		+	[[Category: Staam]]
	[[Category: Batuecas, M T]]		[[Category: Batuecas, M T]]
	[[Category: Hermoso, J A]]		[[Category: Hermoso, J A]]

OCA at 06:55, 27 November 2019

OCA — Wed, 27 Nov 2019 06:55:21 GMT

←Older revision		Revision as of 06:55, 27 November 2019
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6q9n is ~~ON HOLD~~	+	==Crystal structure of PBP2a from MRSA in complex with piperacillin and quinazolinone==
		+	<StructureSection load='6q9n' size='340' side='right'caption='[[6q9n]], [[Resolution\|resolution]] 2.50Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6q9n]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Q9N OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6Q9N FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CD:CADMIUM+ION'>CD</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=JPP:PIPERACILLIN+(OPEN+FORM)'>JPP</scene>, <scene name='pdbligand=MUR:MURAMIC+ACID'>MUR</scene>, <scene name='pdbligand=QLN:3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic+acid'>QLN</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=6q9n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6q9n OCA], [http://pdbe.org/6q9n PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6q9n RCSB], [http://www.ebi.ac.uk/pdbsum/6q9n PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6q9n ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The quinazolinones are a new class of antibacterials with in vivo efficacy against methicillin-resistant Staphylococcus aureus (MRSA). The quinazolinones target cell wall biosynthesis and have a unique mechanism of action by binding to the allosteric site of penicillin-binding protein 2a (PBP 2a). We investigated the potential for synergism of a lead quinazolinone with several antibiotics of different classes using checkerboard and time-kill assays. The quinazolinone synergized with beta-lactam antibiotics. The combination of the quinazolinone with commercial piperacillin-tazobactam showed bactericidal synergy at sub-MICs of all three drugs. We demonstrated the efficacy of the triple-drug combination in a mouse MRSA neutropenic thigh infection model. The proposed mechanism for the synergistic activity in MRSA involves inhibition of the beta-lactamase by tazobactam, which protects piperacillin from hydrolysis, which can then inhibit its target, PBP 2. Furthermore, the quinazolinone binds to the allosteric site of PBP 2a, triggering the allosteric response. This leads to the opening of the active site, which, in turn, binds another molecule of piperacillin. In other words, PBP 2a, which is not normally inhibited by piperacillin, becomes vulnerable to inhibition in the presence of the quinazolinone. The collective effect is the impairment of cell wall biosynthesis, with bactericidal consequence. Two crystal structures for complexes of the antibiotics with PBP 2a provide support for the proposed mechanism of action.

-	~~Authors:~~ Martinez-Caballero, S., Batuecas, M.T., ~~Hermoso, J~~.A.	+	The Quinazolinone Allosteric Inhibitor of PBP 2a Synergizes with Piperacillin and Tazobactam against Methicillin-Resistant Staphylococcus aureus.,Janardhanan J, Bouley R, Martinez-Caballero S, Peng Z, Batuecas-Mordillo M, Meisel JE, Ding D, Schroeder VA, Wolter WR, Mahasenan KV, Hermoso JA, Mobashery S, Chang M Antimicrob Agents Chemother. 2019 Apr 25;63(5). pii: AAC.02637-18. doi:, 10.1128/AAC.02637-18. Print 2019 May. PMID:30858202<ref>PMID:30858202</ref>

-	~~Description: Crystal structure~~ of ~~PBP2a from MRSA in complex with piperacillin and quinazolinone~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
-	[[Category: Hermoso, J.A]]	+	<div class="pdbe-citations 6q9n" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Batuecas, M T]]
		+	[[Category: Hermoso, J A]]
	[[Category: Martinez-Caballero, S]]		[[Category: Martinez-Caballero, S]]
-	[[Category: ~~Batuecas, M.T~~]]	+	[[Category: Hydrolase]]
		+	[[Category: Penicillin binding protein]]

OCA: Protected "6q9n" [edit=sysop:move=sysop]

OCA — Wed, 26 Dec 2018 07:00:45 GMT

Protected "6q9n" [edit=sysop:move=sysop]

←Older revision

Revision as of 07:00, 26 December 2018

OCA: New page: '''Unreleased structure''' The entry 6q9n is ON HOLD Authors: Martinez-Caballero, S., Batuecas, M.T., Hermoso, J.A. Description: Crystal structure of PBP2a from MRSA in complex with pi...

OCA — Wed, 26 Dec 2018 07:00:43 GMT

New page: '''Unreleased structure''' The entry 6q9n is ON HOLD Authors: Martinez-Caballero, S., Batuecas, M.T., Hermoso, J.A. Description: Crystal structure of PBP2a from MRSA in complex with pi...

New page

'''Unreleased structure'''

The entry 6q9n is ON HOLD

Authors: Martinez-Caballero, S., Batuecas, M.T., Hermoso, J.A.

Description: Crystal structure of PBP2a from MRSA in complex with piperacillin and quinazolinone
[[Category: Unreleased Structures]]
[[Category: Hermoso, J.A]]
[[Category: Martinez-Caballero, S]]
[[Category: Batuecas, M.T]]