OCA at 12:51, 1 February 2024

2024-02-01T12:51:34Z

←Older revision		Revision as of 12:51, 1 February 2024
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-	====	+	==Crystal structure of Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus in complex with pentaglycine==
-	<StructureSection load='7ok9' size='340' side='right'caption='[[7ok9]]' scene=''>	+	<StructureSection load='7ok9' size='340' side='right'caption='[[7ok9]], [[Resolution\|resolution]] 3.36Å' 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= OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol= FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7ok9]] is a 22 chain structure with sequence from [https://en.wikipedia.org/wiki/Staphylococcus_aureus_subsp._aureus_COL Staphylococcus aureus subsp. aureus COL] and [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7OK9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7OK9 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=7ok9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7ok9 OCA], [https://pdbe.org/7ok9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7ok9 RCSB], [https://www.ebi.ac.uk/pdbsum/7ok9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7ok9 ProSAT]</span></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]] 3.36Å</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></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=7ok9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7ok9 OCA], [https://pdbe.org/7ok9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7ok9 RCSB], [https://www.ebi.ac.uk/pdbsum/7ok9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7ok9 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A0A0H3JLN5_STAAN A0A0H3JLN5_STAAN]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The penicillin-binding proteins are the enzyme catalysts of the critical transpeptidation crosslinking polymerization reaction of bacterial peptidoglycan synthesis and the molecular targets of the penicillin antibiotics. Here, we report a combined crystallographic, small-angle X-ray scattering (SAXS) in-solution structure, computational and biophysical analysis of PBP1 of Staphylococcus aureus (saPBP1), providing mechanistic clues about its function and regulation during cell division. The structure reveals the pedestal domain, the transpeptidase domain, and most of the linker connecting to the "penicillin-binding protein and serine/threonine kinase associated" (PASTA) domains, but not its two PASTA domains, despite their presence in the construct. To address this absence, the structure of the PASTA domains was determined at 1.5 A resolution. Extensive molecular-dynamics simulations interpret the PASTA domains of saPBP1 as conformationally mobile and separated from the transpeptidase domain. This conclusion was confirmed by SAXS experiments on the full-length protein in solution. A series of crystallographic complexes with beta-lactam antibiotics (as inhibitors) and penta-Gly (as a substrate mimetic) allowed the molecular characterization of both inhibition by antibiotics and binding for the donor and acceptor peptidoglycan strands. Mass-spectrometry experiments with synthetic peptidoglycan fragments revealed binding by PASTA domains in coordination with the remaining domains. The observed mobility of the PASTA domain in saPBP1 could play a crucial role for in vivo interaction with its glycosyltransferase partner in the membrane or with other components of the divisome machinery, as well as for coordination of transpeptidation and polymerization processes in the bacterial divisome.
		+
		+	Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus, an essential component of the divisome machinery.,Martinez-Caballero S, Mahasenan KV, Kim C, Molina R, Feltzer R, Lee M, Bouley R, Hesek D, Fisher JF, Munoz IG, Chang M, Mobashery S, Hermoso JA Comput Struct Biotechnol J. 2021 Sep 17;19:5392-5405. doi:, 10.1016/j.csbj.2021.09.018. eCollection 2021. PMID:34667534<ref>PMID:34667534</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7ok9" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Penicillin-binding protein 3D structures\|Penicillin-binding protein 3D structures]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Z-disk~~]]	+	[[Category: Staphylococcus aureus subsp. aureus COL]]
		+	[[Category: Synthetic construct]]
		+	[[Category: Hermoso JA]]
		+	[[Category: Martinez Caballero S]]

OCA at 14:31, 3 November 2021

2021-11-03T14:31:49Z

←Older revision		Revision as of 14:31, 3 November 2021
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-	'''Unreleased structure'''

-	~~The entry~~ 7ok9 ~~is ON HOLD until Paper Publication~~	+	====
-		+	<StructureSection load='7ok9' size='340' side='right'caption='[[7ok9]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id= OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol= 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=7ok9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7ok9 OCA], [https://pdbe.org/7ok9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7ok9 RCSB], [https://www.ebi.ac.uk/pdbsum/7ok9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7ok9 ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Z-disk]]

OCA at 13:36, 2 June 2021

2021-06-02T13:36:43Z

←Older revision		Revision as of 13:36, 2 June 2021
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7ok9 is ON HOLD	+	The entry 7ok9 is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "7ok9" [edit=sysop:move=sysop]

2021-05-26T08:09:20Z

Protected "7ok9" [edit=sysop:move=sysop]

←Older revision

Revision as of 08:09, 26 May 2021

OCA: New page: '''Unreleased structure''' The entry 7ok9 is ON HOLD Authors: Description: Category: Unreleased Structures

2021-05-26T08:09:19Z

New page: '''Unreleased structure''' The entry 7ok9 is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 7ok9 is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]

7ok9 - Revision history

OCA at 12:51, 1 February 2024

OCA at 14:31, 3 November 2021

OCA at 13:36, 2 June 2021

OCA: Protected "7ok9" [edit=sysop:move=sysop]

OCA: New page: '''Unreleased structure''' The entry 7ok9 is ON HOLD Authors: Description: Category: Unreleased Structures