6g9f - Revision history

OCA at 08:57, 5 February 2020

2020-02-05T08:57:44Z

←Older revision		Revision as of 08:57, 5 February 2020
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	<StructureSection load='6g9f' size='340' side='right'caption='[[6g9f]], [[Resolution\|resolution]] 2.35Å' scene=''>		<StructureSection load='6g9f' size='340' side='right'caption='[[6g9f]], [[Resolution\|resolution]] 2.35Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6g9f]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6G9F OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6G9F FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6g9f]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Eco57 Eco57]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6G9F OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6G9F FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NXL:(2S,5R)-1-FORMYL-5-[(SULFOOXY)AMINO]PIPERIDINE-2-CARBOXAMIDE'>NXL</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NXL:(2S,5R)-1-FORMYL-5-[(SULFOOXY)AMINO]PIPERIDINE-2-CARBOXAMIDE'>NXL</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">mrdA, pbpA, b0635, JW0630 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83334 ECO57])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Serine-type_D-Ala-D-Ala_carboxypeptidase Serine-type D-Ala-D-Ala carboxypeptidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.16.4 3.4.16.4] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Serine-type_D-Ala-D-Ala_carboxypeptidase Serine-type D-Ala-D-Ala carboxypeptidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.16.4 3.4.16.4] </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=6g9f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6g9f OCA], [http://pdbe.org/6g9f PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6g9f RCSB], [http://www.ebi.ac.uk/pdbsum/6g9f PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6g9f 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=6g9f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6g9f OCA], [http://pdbe.org/6g9f PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6g9f RCSB], [http://www.ebi.ac.uk/pdbsum/6g9f PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6g9f ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[http://www.uniprot.org/uniprot/~~MRDA_ECO57 MRDA_ECO57~~]] Catalyzes cross-linking of the peptidoglycan cell wall.	+	[[http://www.uniprot.org/uniprot/MRDA_ECOLI MRDA_ECOLI]] Catalyzes cross-linking of the peptidoglycan cell wall (PubMed:3009484). Responsible for the determination of the rod shape of the cell (PubMed:1103132). Is probably required for lateral peptidoglycan synthesis and maintenance of the correct diameter during lateral and centripetal growth (PubMed:12519203).<ref>PMID:1103132</ref> <ref>PMID:12519203</ref> <ref>PMID:3009484</ref>
	<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 6g9f" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6g9f" 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: Eco57]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Serine-type D-Ala-D-Ala carboxypeptidase]]		[[Category: Serine-type D-Ala-D-Ala carboxypeptidase]]

OCA at 06:45, 23 May 2019

2019-05-23T06:45:36Z

←Older revision		Revision as of 06:45, 23 May 2019
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-	'''Unreleased structure'''

-	~~The entry~~ 6g9f is ~~ON HOLD until Paper~~ Publication	+	==Structural basis for the inhibition of E. coli PBP2==
		+	<StructureSection load='6g9f' size='340' side='right'caption='[[6g9f]], [[Resolution\|resolution]] 2.35Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6g9f]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6G9F OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6G9F FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NXL:(2S,5R)-1-FORMYL-5-[(SULFOOXY)AMINO]PIPERIDINE-2-CARBOXAMIDE'>NXL</scene></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Serine-type_D-Ala-D-Ala_carboxypeptidase Serine-type D-Ala-D-Ala carboxypeptidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.16.4 3.4.16.4] </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=6g9f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6g9f OCA], [http://pdbe.org/6g9f PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6g9f RCSB], [http://www.ebi.ac.uk/pdbsum/6g9f PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6g9f ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/MRDA_ECO57 MRDA_ECO57]] Catalyzes cross-linking of the peptidoglycan cell wall.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Penicillin-binding proteins (PBPs) are the targets of the beta-lactams, the most successful class of antibiotics ever developed against bacterial infections. Unfortunately, the worldwide and rapid spread of large spectrum beta-lactam resistance genes such as carbapenemases is detrimental to the use of antibiotics in this class. New potent PBP inhibitors are needed, especially compounds that resist beta-lactamase hydrolysis. Here we describe the structure of the E. coli PBP2 in its Apo form and upon its reaction with 2 diazabicyclo derivatives, avibactam and CPD4, a new potent PBP2 inhibitor. Examination of these structures shows that unlike avibactam, CPD4 can perform a hydrophobic stacking on Trp370 in the active site of E. coli PBP2. This result, together with sequence analysis, homology modeling, and SAR, allows us to propose CPD4 as potential starting scaffold to develop molecules active against a broad range of bacterial species at the top of the WHO priority list.

-	~~Authors~~:	+	Structural Basis for E. coli Penicillin Binding Protein (PBP) 2 Inhibition, a Platform for Drug Design.,Levy N, Bruneau JM, Le Rouzic E, Bonnard D, Le Strat F, Caravano A, Chevreuil F, Barbion J, Chasset S, Ledoussal B, Moreau F, Ruff M J Med Chem. 2019 May 9;62(9):4742-4754. doi: 10.1021/acs.jmedchem.9b00338. Epub, 2019 Apr 26. PMID:30995398<ref>PMID:30995398</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
		+	<div class="pdbe-citations 6g9f" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Serine-type D-Ala-D-Ala carboxypeptidase]]
		+	[[Category: Levy, N]]
		+	[[Category: Ruff, M]]
		+	[[Category: Hydrolase-antibiotic complex]]
		+	[[Category: Penicillin binding protein]]

OCA at 04:17, 25 April 2018

2018-04-25T04:17:26Z

←Older revision		Revision as of 04:17, 25 April 2018
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6g9f is ON HOLD	+	The entry 6g9f is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "6g9f" [edit=sysop:move=sysop]

2018-04-18T04:30:43Z

Protected "6g9f" [edit=sysop:move=sysop]

←Older revision

Revision as of 04:30, 18 April 2018

OCA: New page: '''Unreleased structure''' The entry 6g9f is ON HOLD Authors: Description: Category: Unreleased Structures

2018-04-18T04:30:42Z

New page: '''Unreleased structure''' The entry 6g9f is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 6g9f is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]