6d9t - Revision history

OCA at 15:20, 4 October 2023

2023-10-04T15:20:31Z

←Older revision		Revision as of 15:20, 4 October 2023
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	<StructureSection load='6d9t' size='340' side='right'caption='[[6d9t]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='6d9t' size='340' side='right'caption='[[6d9t]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6d9t]] is a 1 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=6D9T OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6D9T FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6d9t]] is a 1 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=6D9T OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6D9T FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat">~~<scene name='pdbligand=UDP:URIDINE~~-~~5-DIPHOSPHATE'>UDP</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]] 2Å</td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat"~~>pimB_2, BTN44_05260, EP54_02400, EQ90_10145, ERS365775_02315 ([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=UDP:URIDINE-5-DIPHOSPHATE'>UDP</scene></td></tr>
-	~~<tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:~~</b></td><td class="sblockDat"><span class='plainlinks~~'>~~[http://en.wikipedia.org/wiki/Transferase Transferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.1.57 2.4.1.57]~~ </~~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=6d9t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6d9t OCA], [https://pdbe.org/6d9t PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6d9t RCSB], [https://www.ebi.ac.uk/pdbsum/6d9t PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6d9t 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=6d9t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6d9t OCA], [~~http~~://pdbe.org/6d9t PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6d9t RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6d9t PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6d9t ProSAT]</span></td></tr>	+
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A0A068A5A2_STAAU A0A068A5A2_STAAU]
	<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 6d9t" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6d9t" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Glycosyltransferase 3D structures\|Glycosyltransferase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
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	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Transferase~~]]	+	[[Category: Staphylococcus aureus]]
-	[[Category: Cook~~, P D~~]]	+	[[Category: Cook PD]]
-	[[Category: Royer~~, C R]]~~	+	[[Category: Royer CR]]
-	~~[[Category: Bacillithiol]]~~	+
-	~~[[Category: Biosynthetic protein]]~~	+
-	~~[[Category: Glycosyltransferase]]~~	+
-	~~[[Category: Gt-b]]~~	+
-	~~[[Category: Udp-n-acetylglucosamine~~]]	+

OCA at 09:27, 30 October 2019

2019-10-30T09:27:45Z

←Older revision		Revision as of 09:27, 30 October 2019
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	<StructureSection load='6d9t' size='340' side='right'caption='[[6d9t]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='6d9t' size='340' side='right'caption='[[6d9t]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6d9t]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6D9T OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6D9T FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6d9t]] is a 1 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=6D9T OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6D9T FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=UDP:URIDINE-5-DIPHOSPHATE'>UDP</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=UDP:URIDINE-5-DIPHOSPHATE'>UDP</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">pimB_2, BTN44_05260, EP54_02400, EQ90_10145, ERS365775_02315 ([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='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Transferase Transferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.1.57 2.4.1.57] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Transferase Transferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.1.57 2.4.1.57] </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=6d9t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6d9t OCA], [http://pdbe.org/6d9t PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6d9t RCSB], [http://www.ebi.ac.uk/pdbsum/6d9t PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6d9t 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=6d9t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6d9t OCA], [http://pdbe.org/6d9t PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6d9t RCSB], [http://www.ebi.ac.uk/pdbsum/6d9t PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6d9t ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Bacillithiol is a glucosamine-derived antioxidant found in several pathogenic Gram-positive bacteria. The compound is involved in maintaining the appropriate redox state within the cell as well as detoxifying foreign agents like the antibiotic fosfomycin. Bacillithiol is produced via the action of three enzymes, including BshA, a retaining GT-B glycosyltransferase that utilizes UDP-N-acetylglucosamine and l-malate to produce N-acetylglucosaminyl-malate. Recent studies suggest that retaining GT-B glycosyltransferases like BshA utilize a substrate-assisted mechanism that goes through an SN i-like transition state. In a previous study, we relied on X-ray crystallography as well as computational simulations to hypothesize the manner in which substrates would bind the enzyme, but several questions about substrate binding and the role of one of the amino acid residues persisted. Another study demonstrated that BshA might be subject to feedback inhibition by bacillithiol, but this phenomenon was not analyzed further to determine the exact mechanism of inhibition. Here we present X-ray crystallographic structures and steady-state kinetics results that help elucidate both of these issues. Our ligand-bound crystal structures demonstrate that the active site provides an appropriate steric and geometric arrangement of ligands to facilitate the substrate-assisted mechanism. Finally, we show that bacillithiol is competitive for UDP-N-acetylglucosamine with a Ki value near 120-130 muM and likely binds within the BshA active site, suggesting that bacillithiol modulates BshA activity via feedback inhibition. The work presented here furthers our understanding of bacillithiol metabolism and can aid in the development of inhibitors to counteract resistance to antibiotics such as fosfomycin.
		+
		+	A structural and functional analysis of the glycosyltransferase BshA from Staphylococcus aureus: Insights into the reaction mechanism and regulation of bacillithiol production.,Royer CJ, Cook PD Protein Sci. 2019 Jun;28(6):1083-1094. doi: 10.1002/pro.3617. Epub 2019 Apr 24. PMID:30968475<ref>PMID:30968475</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6d9t" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 11:14, 10 May 2019

2019-05-10T11:14:19Z

←Older revision		Revision as of 11:14, 10 May 2019
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-	'''Unreleased structure'''

-	~~The entry~~ 6d9t is ~~ON HOLD until Paper Publication~~	+	==BshA from Staphylococcus aureus complexed with UDP==
-		+	<StructureSection load='6d9t' size='340' side='right'caption='[[6d9t]], [[Resolution\|resolution]] 2.00Å' scene=''>
-	~~Authors~~: ~~Royer~~, C.R., ~~Cook~~, P.D.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[6d9t]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6D9T OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6D9T FirstGlance]. <br>
-	~~Description: BshA from Staphylococcus aureus complexed with UDP~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=UDP:URIDINE-5-DIPHOSPHATE'>UDP</scene></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Transferase Transferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.1.57 2.4.1.57] </span></td></tr>
-	[[Category: Cook, P.D]]	+	<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=6d9t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6d9t OCA], [http://pdbe.org/6d9t PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6d9t RCSB], [http://www.ebi.ac.uk/pdbsum/6d9t PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6d9t ProSAT]</span></td></tr>
-	[[Category: Royer, C.R]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Transferase]]
		+	[[Category: Cook, P D]]
		+	[[Category: Royer, C R]]
		+	[[Category: Bacillithiol]]
		+	[[Category: Biosynthetic protein]]
		+	[[Category: Glycosyltransferase]]
		+	[[Category: Gt-b]]
		+	[[Category: Udp-n-acetylglucosamine]]

OCA: Protected "6d9t" [edit=sysop:move=sysop]

2018-05-09T04:53:49Z

Protected "6d9t" [edit=sysop:move=sysop]

←Older revision

Revision as of 04:53, 9 May 2018

OCA: New page: '''Unreleased structure''' The entry 6d9t is ON HOLD until Paper Publication Authors: Royer, C.R., Cook, P.D. Description: BshA from Staphylococcus aureus complexed with UDP [[Category...

2018-05-09T04:53:48Z

New page: '''Unreleased structure''' The entry 6d9t is ON HOLD until Paper Publication Authors: Royer, C.R., Cook, P.D. Description: BshA from Staphylococcus aureus complexed with UDP [[Category...

New page

'''Unreleased structure'''

The entry 6d9t is ON HOLD until Paper Publication

Authors: Royer, C.R., Cook, P.D.

Description: BshA from Staphylococcus aureus complexed with UDP
[[Category: Unreleased Structures]]
[[Category: Cook, P.D]]
[[Category: Royer, C.R]]