5jxx - Revision history

OCA at 19:14, 20 September 2023

OCA — Wed, 20 Sep 2023 19:14:29 GMT

←Older revision		Revision as of 19:14, 20 September 2023
Line 1:		Line 1:

	==Crystal structure of UDP-N-acetylglucosamine O-acyltransferase (LpxA) from Moraxella catarrhalis RH4.==		==Crystal structure of UDP-N-acetylglucosamine O-acyltransferase (LpxA) from Moraxella catarrhalis RH4.==
-	<StructureSection load='5jxx' size='340' side='right' caption='[[5jxx]], [[Resolution\|resolution]] 3.00Å' scene=''>	+	<StructureSection load='5jxx' size='340' side='right'caption='[[5jxx]], [[Resolution\|resolution]] 3.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5jxx]] is a 6 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Morcb Morcb~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5JXX OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5JXX FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5jxx]] is a 6 chain structure with sequence from [https://en.wikipedia.org/wiki/Moraxella_catarrhalis_BBH18 Moraxella catarrhalis BBH18]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5JXX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5JXX FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat"~~><scene name~~=~~'pdbligand=FLC:CITRATE+ANION'>FLC</scene~~>, ~~<scene name='pdbligand=GOL:GLYCEROL'>GOL</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]] 3.001Å</td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat"~~>lpxA, MCR_0549 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&~~id=~~1236608 MORCB])</td~~><~~/tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FLC:CITRATE+ANION'>FLC</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
-	~~<tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:~~</b~~></td><~~td class~~=~~"sblockDat"><span class~~=~~'plainlinks~~'>[http://en.wikipedia.org/wiki/Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine_O-acyltransferase Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.129 2.3.1.129] </~~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=5jxx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5jxx OCA], [https://pdbe.org/5jxx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5jxx RCSB], [https://www.ebi.ac.uk/pdbsum/5jxx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5jxx 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=5jxx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5jxx OCA], [~~http~~://pdbe.org/5jxx PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5jxx RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5jxx PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5jxx ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/D5VAW8_MORCB D5VAW8_MORCB]] Involved in the biosynthesis of lipid A, a phosphorylated glycolipid that anchors the lipopolysaccharide to the outer membrane of the cell.[HAMAP-Rule:MF_00387][SAAS:SAAS00720115]	+	[https://www.uniprot.org/uniprot/D5VAW8_MORCB D5VAW8_MORCB] Involved in the biosynthesis of lipid A, a phosphorylated glycolipid that anchors the lipopolysaccharide to the outer membrane of the cell.[HAMAP-Rule:MF_00387][SAAS:SAAS00720115]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 20:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 5jxx" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5jxx" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[UDP-N-acetylglucosamine acyltransferase\|UDP-N-acetylglucosamine acyltransferase]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Morcb~~]]	+	[[Category: Large Structures]]
-	[[Category: Dev, A]]	+	[[Category: Moraxella catarrhalis BBH18]]
-	[[Category: Kesari, P]]	+	[[Category: Dev A]]
-	[[Category: Kumar, P]]	+	[[Category: Kesari P]]
-	[[Category: Narwal, M]]	+	[[Category: Kumar P]]
-	[[Category: Pratap, S]]	+	[[Category: Narwal M]]
-	[[Category: Yadav, R]]	+	[[Category: Pratap S]]
-	~~[[Category: Acyltransferase]]~~	+	[[Category: Yadav R]]
-	~~[[Category: Lpxa]]~~	+
-	~~[[Category: Transferase]]~~	+
-	~~[[Category: Udp-n-acetylglucosamine o-acyltransferase~~]]	+

OCA at 09:46, 16 November 2017

OCA — Thu, 16 Nov 2017 09:46:58 GMT

←Older revision		Revision as of 09:46, 16 November 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5jxx is ~~ON HOLD~~	+	==Crystal structure of UDP-N-acetylglucosamine O-acyltransferase (LpxA) from Moraxella catarrhalis RH4.==
		+	<StructureSection load='5jxx' size='340' side='right' caption='[[5jxx]], [[Resolution\|resolution]] 3.00Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5jxx]] is a 6 chain structure with sequence from [http://en.wikipedia.org/wiki/Morcb Morcb]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5JXX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5JXX FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FLC:CITRATE+ANION'>FLC</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">lpxA, MCR_0549 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1236608 MORCB])</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine_O-acyltransferase Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.129 2.3.1.129] </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=5jxx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5jxx OCA], [http://pdbe.org/5jxx PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5jxx RCSB], [http://www.ebi.ac.uk/pdbsum/5jxx PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5jxx ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/D5VAW8_MORCB D5VAW8_MORCB]] Involved in the biosynthesis of lipid A, a phosphorylated glycolipid that anchors the lipopolysaccharide to the outer membrane of the cell.[HAMAP-Rule:MF_00387][SAAS:SAAS00720115]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Lipopolysaccharide (LPS) is an important surface component and a potential virulence factor in the pathogenesis of Gram-negative bacteria. UDP-N-acetylglucosamine acyltransferase (LpxA) enzyme catalyzes the first reaction of LPS biosynthesis, reversible transfer of R-3-hydroxy-acyl moiety from donor R-3-hydroxy-acyl-acyl carrier protein to the 3' hydroxyl position of UDP-N-acetyl-glucosamine. LpxA enzyme's essentiality in bacterial survival and absence of any homologous protein in humans makes it a promising target for anti-bacterial drug development. Herein, we present the crystal structure of Moraxella catarrhalis LpxA (McLpxA). We propose that L171 is responsible for limiting the acyl chain length in McLpxA to 10C or 12C. The study reveals the plausible interactions between the highly conserved clusters of basic residues at the C-terminal end of McLpxA and acidic residues of acyl carrier protein (ACP). Furthermore, the crystal structure of McLpxA was used to screen potential inhibitors from NCI open database using various computational approaches viz. pharmacophore mapping, virtual screening and molecular docking. Molecules Mol212032, Mol609399 and Mol152546 showed best binding affinity with McLpxA among all screened molecules. These molecules mimic the substrate-LpxA binding interactions.

-	~~Authors~~: ~~Pratap~~, S., Kesari, P., Yadav, R~~., Narwal, M.~~, Dev, A., ~~Kumar~~, P.	+	Acyl chain preference and inhibitor identification of Moraxella catarrhalis LpxA: Insight through crystal structure and computational studies.,Pratap S, Kesari P, Yadav R, Dev A, Narwal M, Kumar P Int J Biol Macromol. 2017 Mar;96:759-765. doi: 10.1016/j.ijbiomac.2017.01.005., Epub 2017 Jan 3. PMID:28057571<ref>PMID:28057571</ref>

-	~~Description: Crystal structure~~ of ~~UDP-N-acetylglucosamine O-acyltransferase (LpxA) from Moraxella catarrhalis RH4~~.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category: Unreleased Structures]]~~	+	</div>
-	~~[[Category~~: ~~Pratap, S]]~~	+	<div class="pdbe-citations 5jxx" style="background-color:#fffaf0;"></div>
-	~~[[Category: Narwal, M]]~~	+	== References ==
-	~~[[Category: Kumar, P]]~~	+	<references/>
-	[[Category: ~~Yadav, R~~]]	+	__TOC__
		+	</StructureSection>
		+	[[Category: Morcb]]
	[[Category: Dev, A]]		[[Category: Dev, A]]
	[[Category: Kesari, P]]		[[Category: Kesari, P]]
		+	[[Category: Kumar, P]]
		+	[[Category: Narwal, M]]
		+	[[Category: Pratap, S]]
		+	[[Category: Yadav, R]]
		+	[[Category: Acyltransferase]]
		+	[[Category: Lpxa]]
		+	[[Category: Transferase]]
		+	[[Category: Udp-n-acetylglucosamine o-acyltransferase]]

OCA at 10:05, 9 March 2017

OCA — Thu, 09 Mar 2017 10:05:13 GMT

←Older revision		Revision as of 10:05, 9 March 2017
Line 10:		Line 10:
	[[Category: Narwal, M]]		[[Category: Narwal, M]]
	[[Category: Kumar, P]]		[[Category: Kumar, P]]
-	[[Category: Kesari, P]]
	[[Category: Yadav, R]]		[[Category: Yadav, R]]
	[[Category: Dev, A]]		[[Category: Dev, A]]
		+	[[Category: Kesari, P]]

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

OCA — Wed, 01 Jun 2016 14:01:29 GMT

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

←Older revision

Revision as of 14:01, 1 June 2016

OCA: New page: '''Unreleased structure''' The entry 5jxx is ON HOLD Authors: Pratap, S., Kesari, P., Yadav, R., Narwal, M., Dev, A., Kumar, P. Description: Crystal structure of UDP-N-acetylglucosamin...

OCA — Wed, 01 Jun 2016 14:01:28 GMT

New page: '''Unreleased structure''' The entry 5jxx is ON HOLD Authors: Pratap, S., Kesari, P., Yadav, R., Narwal, M., Dev, A., Kumar, P. Description: Crystal structure of UDP-N-acetylglucosamin...

New page

'''Unreleased structure'''

The entry 5jxx is ON HOLD

Authors: Pratap, S., Kesari, P., Yadav, R., Narwal, M., Dev, A., Kumar, P.

Description: Crystal structure of UDP-N-acetylglucosamine O-acyltransferase (LpxA) from Moraxella catarrhalis RH4.
[[Category: Unreleased Structures]]
[[Category: Pratap, S]]
[[Category: Narwal, M]]
[[Category: Kumar, P]]
[[Category: Kesari, P]]
[[Category: Yadav, R]]
[[Category: Dev, A]]