5m18 - Revision history

OCA at 18:19, 1 November 2023

OCA — Wed, 01 Nov 2023 18:19:47 GMT

←Older revision		Revision as of 18:19, 1 November 2023
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	==Crystal structure of PBP2a from MRSA in the presence of Cefepime ligand==		==Crystal structure of PBP2a from MRSA in the presence of Cefepime ligand==
-	<StructureSection load='5m18' size='340' side='right' caption='[[5m18]], [[Resolution\|resolution]] 1.98Å' scene=''>	+	<StructureSection load='5m18' size='340' side='right'caption='[[5m18]], [[Resolution\|resolution]] 1.98Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5m18]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~"micrococcus_aureus"_(rosenbach_1884)_zopf_1885 "micrococcus~~ aureus~~" (rosenbach 1884) zopf 1885~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5M18 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5M18 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5m18]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5M18 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5M18 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=MUR:MURAMIC+ACID'>MUR</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]] 1.98Å</td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat">~~mecA ([http~~:/~~/www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode~~=~~Info&srchmode~~=~~5&id=1280 "Micrococcus aureus" (Rosenbach 1884) Zopf 1885])~~</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=MUR:MURAMIC+ACID'>MUR</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=5m18 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5m18 OCA], [~~http~~://pdbe.org/5m18 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5m18 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5m18 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5m18 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=5m18 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5m18 OCA], [https://pdbe.org/5m18 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5m18 RCSB], [https://www.ebi.ac.uk/pdbsum/5m18 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5m18 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/Q7DHH4_STAAU Q7DHH4_STAAU]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 17:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 5m18" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5m18" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Penicillin-binding protein 3D structures\|Penicillin-binding protein 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Batuecas, M T]]~~	+	[[Category: Large Structures]]
-	~~[[Category: Hermoso, J A]]~~	+
-	~~[[Category: Molina, R]]~~	+
-	~~[[Category: Penicillin binding protein~~]]	+
	[[Category: Staphylococcus aureus]]		[[Category: Staphylococcus aureus]]
		+	[[Category: Batuecas MT]]
		+	[[Category: Hermoso JA]]
		+	[[Category: Molina R]]

OCA at 06:56, 31 January 2018

OCA — Wed, 31 Jan 2018 06:56:45 GMT

←Older revision		Revision as of 06:56, 31 January 2018
Line 3:		Line 3:
	<StructureSection load='5m18' size='340' side='right' caption='[[5m18]], [[Resolution\|resolution]] 1.98Å' scene=''>		<StructureSection load='5m18' size='340' side='right' caption='[[5m18]], [[Resolution\|resolution]] 1.98Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5m18]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5M18 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5M18 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5m18]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"micrococcus_aureus"_(rosenbach_1884)_zopf_1885 "micrococcus aureus" (rosenbach 1884) zopf 1885]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5M18 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5M18 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=MUR:MURAMIC+ACID'>MUR</scene></td></tr>		</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=MUR:MURAMIC+ACID'>MUR</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">mecA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1280 "Micrococcus aureus" (Rosenbach 1884) Zopf 1885])</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=5m18 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5m18 OCA], [http://pdbe.org/5m18 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5m18 RCSB], [http://www.ebi.ac.uk/pdbsum/5m18 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5m18 ProSAT]</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=5m18 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5m18 OCA], [http://pdbe.org/5m18 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5m18 RCSB], [http://www.ebi.ac.uk/pdbsum/5m18 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5m18 ProSAT]</span></td></tr>
	</table>		</table>

OCA at 08:02, 9 March 2017

OCA — Thu, 09 Mar 2017 08:02:23 GMT

←Older revision		Revision as of 08:02, 9 March 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5m18 is ~~ON HOLD until Paper~~ Publication	+	==Crystal structure of PBP2a from MRSA in the presence of Cefepime ligand==
		+	<StructureSection load='5m18' size='340' side='right' caption='[[5m18]], [[Resolution\|resolution]] 1.98Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5m18]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5M18 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5M18 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=MUR:MURAMIC+ACID'>MUR</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=5m18 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5m18 OCA], [http://pdbe.org/5m18 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5m18 RCSB], [http://www.ebi.ac.uk/pdbsum/5m18 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5m18 ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The mechanism of the beta-lactam antibacterials is the functionally irreversible acylation of the enzymes that catalyze the cross-linking steps in the biosynthesis of their peptidoglycan cell wall. The Gram-positive pathogen Staphylococcus aureus uses one primary resistance mechanism. An enzyme, called penicillin-binding protein 2a (PBP2a), is brought into this biosynthetic pathway to complete the cross-linking. PBP2a effectively discriminates against the beta-lactam antibiotics as potential inhibitors, and in favor of the peptidoglycan substrate. The basis for this discrimination is an allosteric site, distal from the active site, that when properly occupied concomitantly opens the gatekeeper residues within the active site and realigns the conformation of key residues to permit catalysis. We address the molecular basis of this regulation using crystallographic studies augmented by computational analyses. The crystal structures of three beta-lactams (oxacillin, cefepime, ceftazidime) complexes with PBP2a-each with the beta-lactam in the allosteric site-defined (with preceding PBP2a structures) as the "open" or "partially open" PBP2a states. A particular loop motion adjacent to the active site is identified as the driving force for the active-site conformational change that accompanies active-site opening. Correlation of this loop motion to effector binding at the allosteric site, in order to identify the signaling pathway, was accomplished computationally in reference to the known "closed" apo-PBP2a X-ray crystal structure state. This correlation enabled the computational simulation of the structures coinciding with initial peptidoglycan substrate binding to PBP2a, acyl enzyme formation, and acyl transfer to a second peptidoglycan substrate to attain cross-linking. These studies offer important insights into the structural bases for allosteric site-to-active site communication and for beta-lactam mimicry of the peptidoglycan substrates, as foundational to the mechanistic understanding of emerging PBP2a resistance mutations.

-	~~Authors~~:	+	Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis.,Mahasenan KV, Molina R, Bouley R, Batuecas MT, Fisher JF, Hermoso JA, Chang M, Mobashery S J Am Chem Soc. 2017 Feb 8;139(5):2102-2110. doi: 10.1021/jacs.6b12565. Epub 2017 , Jan 27. PMID:28099001<ref>PMID:28099001</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
		+	<div class="pdbe-citations 5m18" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Batuecas, M T]]
		+	[[Category: Hermoso, J A]]
		+	[[Category: Molina, R]]
		+	[[Category: Penicillin binding protein]]
		+	[[Category: Staphylococcus aureus]]

OCA: Protected "5m18" [edit=sysop:move=sysop]

OCA — Wed, 19 Oct 2016 15:02:42 GMT

Protected "5m18" [edit=sysop:move=sysop]

←Older revision

Revision as of 15:02, 19 October 2016

OCA: New page: '''Unreleased structure''' The entry 5m18 is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures

OCA — Wed, 19 Oct 2016 15:02:41 GMT

New page: '''Unreleased structure''' The entry 5m18 is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 5m18 is ON HOLD until Paper Publication

Authors:

Description:
[[Category: Unreleased Structures]]