4gnu - Revision history

OCA at 10:02, 30 October 2024

2024-10-30T10:02:26Z

← Older revision		Revision as of 10:02, 30 October 2024
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4gnu]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GNU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4GNU FirstGlance]. <br>		<table><tr><td colspan='2'>[[4gnu]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GNU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4GNU FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</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]] 1.09Å</td></tr>
			<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</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=4gnu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gnu OCA], [https://pdbe.org/4gnu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4gnu RCSB], [https://www.ebi.ac.uk/pdbsum/4gnu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4gnu 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=4gnu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gnu OCA], [https://pdbe.org/4gnu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4gnu RCSB], [https://www.ebi.ac.uk/pdbsum/4gnu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4gnu ProSAT]</span></td></tr>
	</table>		</table>

OCA at 07:07, 26 October 2022

2022-10-26T07:07:22Z

← Older revision		Revision as of 07:07, 26 October 2022
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	==Crystal structure of GES-5 carbapenemase==		==Crystal structure of GES-5 carbapenemase==
	<StructureSection load='4gnu' size='340' side='right' caption='[[4gnu]], [[Resolution\|resolution]] 1.09Å' scene=''>		<StructureSection load='4gnu' size='340' side='right'caption='[[4gnu]], [[Resolution\|resolution]] 1.09Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4gnu]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~"bacillus_aeruginosus"_(schroeter_1872)_trevisan_1885 "bacillus aeruginosus" (schroeter 1872) trevisan 1885~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GNU OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4GNU FirstGlance]. <br>		<table><tr><td colspan='2'>[[4gnu]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GNU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4GNU FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</scene>~~</td></tr>~~		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</scene></td></tr>
	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4gog\|4gog]], [[4h8r\|4h8r]]</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=4gnu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gnu OCA], [https://pdbe.org/4gnu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4gnu RCSB], [https://www.ebi.ac.uk/pdbsum/4gnu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4gnu ProSAT]</span></td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">blaGES-5 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=287 "Bacillus aeruginosus" (Schroeter 1872) Trevisan 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=4gnu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gnu OCA], [~~http~~://pdbe.org/4gnu PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4gnu RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4gnu PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4gnu ProSAT]</span></td></tr>
	</table>		</table>
			== Function ==
			[https://www.uniprot.org/uniprot/A0EL75_PSEAI A0EL75_PSEAI]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 20:		Line 20:

	==See Also==		==See Also==
	*[[Beta-lactamase\|Beta-lactamase]]		*[[Beta-lactamase 3D structures\|Beta-lactamase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Smith, C A~~]]		[[Category: Large Structures]]
	[[Category: ~~Vakulenko, S B~~]]		[[Category: Pseudomonas aeruginosa]]
	[[Category: ~~Beta-lactamase~~]]		[[Category: Smith CA]]
	[[Category: ~~Carbapenemase]]~~		[[Category: Vakulenko SB]]
	~~[[Category: Hydrolase~~]]

OCA at 13:01, 5 August 2016

2016-08-05T13:01:31Z

← Older revision		Revision as of 13:01, 5 August 2016
Line 1:		Line 1:

	==Crystal structure of GES-5 carbapenemase==		==Crystal structure of GES-5 carbapenemase==
	<StructureSection load='4gnu' size='340' side='right' caption='[[4gnu]], [[Resolution\|resolution]] 1.09Å' scene=''>		<StructureSection load='4gnu' size='340' side='right' caption='[[4gnu]], [[Resolution\|resolution]] 1.09Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4gnu]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Pseudomonas_aeruginosa Pseudomonas aeruginosa~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GNU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4GNU FirstGlance]. <br>		<table><tr><td colspan='2'>[[4gnu]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_aeruginosus"_(schroeter_1872)_trevisan_1885 "bacillus aeruginosus" (schroeter 1872) trevisan 1885]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GNU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4GNU FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4gog\|4gog]], [[4h8r\|4h8r]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4gog\|4gog]], [[4h8r\|4h8r]]</td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">blaGES-5 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=287 ~~Pseudomonas aeruginosa~~])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">blaGES-5 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=287 "Bacillus aeruginosus" (Schroeter 1872) Trevisan 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=4gnu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gnu OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4gnu RCSB], [http://www.ebi.ac.uk/pdbsum/4gnu 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=4gnu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gnu OCA], [http://pdbe.org/4gnu PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4gnu RCSB], [http://www.ebi.ac.uk/pdbsum/4gnu PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4gnu 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 4gnu" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 23:		Line 25:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	~~[[Category: Pseudomonas aeruginosa]]~~
	[[Category: Smith, C A]]		[[Category: Smith, C A]]
	[[Category: Vakulenko, S B]]		[[Category: Vakulenko, S B]]

OCA at 10:46, 21 December 2014

2014-12-21T10:46:06Z

← Older revision		Revision as of 10:46, 21 December 2014
Line 1:		Line 1:
	~~{{STRUCTURE_4gnu~~\| ~~PDB~~=4gnu \| ~~SCENE~~= }}		==Crystal structure of GES-5 carbapenemase==
	===~~Crystal structure of GES~~-5 ~~carbapenemase~~===		<StructureSection load='4gnu' size='340' side='right' caption='[[4gnu]], [[Resolution\|resolution]] 1.09Å' scene=''>
	~~{{ABSTRACT_PUBMED_23148776}}~~		== Structural highlights ==
			<table><tr><td colspan='2'>[[4gnu]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GNU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4GNU FirstGlance]. <br>
			</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</scene></td></tr>
			<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4gog\|4gog]], [[4h8r\|4h8r]]</td></tr>
			<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">blaGES-5 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=287 Pseudomonas aeruginosa])</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=4gnu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gnu OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4gnu RCSB], [http://www.ebi.ac.uk/pdbsum/4gnu PDBsum]</span></td></tr>
			</table>
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			Carbapenem antibiotics have become therapeutics of last resort for the treatment of difficult infections. The emergence of class-A beta-lactamases that have the ability to inactivate carbapenems in the past few years is a disconcerting clinical development in light of the diminished options for treatment of infections. A member of the GES-type beta-lactamase family, GES-1, turns over imipenem poorly, but the GES-5 beta-lactamase is an avid catalyst for turnover of this antibiotic. We report herein high-resolution X-ray structures of the apo GES-5 beta-lactamase and the GES-1 and GES-5 beta-lactamases in complex with imipenem. The latter are the first structures of native class-A carbapenemases with a clinically used carbapenem antibiotic in the active site. The structural information is supplemented by information from molecular dynamics simulations, which collectively for the first time discloses how the second step of catalysis by these enzymes, namely, hydrolytic deacylation of the acyl-enzyme species, takes place effectively in the case of the GES-5 beta-lactamase and significantly less so in GES-1. This information illuminates one evolutionary path that nature has taken in the direction of the inexorable emergence of resistance to carbapenem antibiotics.

	~~==About this Structure==~~		Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases.,Smith CA, Frase H, Toth M, Kumarasiri M, Wiafe K, Munoz J, Mobashery S, Vakulenko SB J Am Chem Soc. 2012 Dec 5;134(48):19512-5. doi: 10.1021/ja308197j. Epub 2012 Nov , 16. PMID:23148776<ref>PMID:23148776</ref>
	~~[[4gnu]] is a 2 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa]~~. ~~Full crystallographic information is available from [http~~:/~~/oca~~.~~weizmann~~.~~ac.il/oca-bin~~/~~ocashort?id=4GNU OCA].~~

	==~~Reference~~==		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	~~<ref group~~=~~"xtra">PMID:023148776</ref>~~<references ~~group="xtra"~~/><~~references~~/>		</div>

			==See Also==
			*[[Beta-lactamase\|Beta-lactamase]]
			== References ==
			<references/>
			__TOC__
			</StructureSection>
	[[Category: Pseudomonas aeruginosa]]		[[Category: Pseudomonas aeruginosa]]
	[[Category: Smith, C A.]]		[[Category: Smith, C A]]
	[[Category: Vakulenko, S B.]]		[[Category: Vakulenko, S B]]
	[[Category: Beta-lactamase]]		[[Category: Beta-lactamase]]
	[[Category: Carbapenemase]]		[[Category: Carbapenemase]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]

OCA at 12:53, 24 July 2013

2013-07-24T12:53:58Z

← Older revision		Revision as of 12:53, 24 July 2013
Line 1:		Line 1:
	~~'''Unreleased~~ structure~~'''~~		{{STRUCTURE_4gnu\| PDB=4gnu \| SCENE= }}
			===Crystal structure of GES-5 carbapenemase===
			{{ABSTRACT_PUBMED_23148776}}

	~~The entry~~ 4gnu is ~~ON HOLD~~		==About this Structure==
			[[4gnu]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GNU OCA].

	~~Authors~~: Smith, C.A., Vakulenko, S.B.		==Reference==
			<ref group="xtra">PMID:023148776</ref><references group="xtra"/><references/>
	~~Description~~: ~~Crystal structure of GES-5 carbapenemase~~		[[Category: Pseudomonas aeruginosa]]
			[[Category: Smith, C A.]]
			[[Category: Vakulenko, S B.]]
			[[Category: Beta-lactamase]]
			[[Category: Carbapenemase]]
			[[Category: Hydrolase]]

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

2012-08-29T04:48:16Z

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

← Older revision	Revision as of 04:48, 29 August 2012
(No difference)

OCA: New page: '''Unreleased structure''' The entry 4gnu is ON HOLD Authors: Smith, C.A., Vakulenko, S.B. Description: Crystal structure of GES-5 carbapenemase

2012-08-29T04:48:15Z

New page: '''Unreleased structure''' The entry 4gnu is ON HOLD Authors: Smith, C.A., Vakulenko, S.B. Description: Crystal structure of GES-5 carbapenemase

New page

'''Unreleased structure'''

The entry 4gnu is ON HOLD

Authors: Smith, C.A., Vakulenko, S.B.

Description: Crystal structure of GES-5 carbapenemase