7sel - Revision history

OCA at 10:43, 22 May 2024

2024-05-22T10:43:00Z

← Older revision		Revision as of 10:43, 22 May 2024
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	<StructureSection load='7sel' size='340' side='right'caption='[[7sel]], [[Resolution\|resolution]] 2.98Å' scene=''>		<StructureSection load='7sel' size='340' side='right'caption='[[7sel]], [[Resolution\|resolution]] 2.98Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[7sel]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7SEL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7SEL FirstGlance]. <br>		<table><tr><td colspan='2'>[[7sel]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7SEL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7SEL FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=95X:(2E)-3-{7-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic+acid'>95X</scene>, <scene name='pdbligand=KDL:(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic+acid'>KDL</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]] 2.978Å</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/ABC-type_lipid_A-core_oligosaccharide_transporter ABC-type lipid A-core oligosaccharide transporter], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=7.5.2.6 7.5.2.6] </span></td></tr>		<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=95X:(2E)-3-{7-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic+acid'>95X</scene>, <scene name='pdbligand=KDL:(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic+acid'>KDL</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=7sel FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7sel OCA], [https://pdbe.org/7sel PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7sel RCSB], [https://www.ebi.ac.uk/pdbsum/7sel PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7sel 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=7sel FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7sel OCA], [https://pdbe.org/7sel PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7sel RCSB], [https://www.ebi.ac.uk/pdbsum/7sel PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7sel ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[[https://www.uniprot.org/uniprot/~~A0A140NBS6_ECOBD A0A140NBS6_ECOBD]~~] Involved in ~~lipopolysaccharide (LPS) biosynthesis. Translocates~~ lipid A~~-core from the inner to~~ the outer ~~leaflet of the inner~~ membrane. Transmembrane domains (TMD) form a pore in the inner membrane and the ATP-binding domain (NBD) is responsible for energy generation.~~[HAMAP-Rule:MF_01703]~~		[https://www.uniprot.org/uniprot/MSBA_ECOLI MSBA_ECOLI] Involved in lipid A export and possibly also in glycerophospholipid export and for biogenesis of the outer membrane. Transmembrane domains (TMD) form a pore in the inner membrane and the ATP-binding domain (NBD) is responsible for energy generation.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~ABC-type lipid A-core oligosaccharide transporter~~]]		[[Category: Escherichia coli]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Koth~~, C M~~]]		[[Category: Koth CM]]
	[[Category: Payandeh, J]]		[[Category: Payandeh J]]
	[[Category: Verma~~, V A]]~~		[[Category: Verma VA]]
	~~[[Category: Inhibitor]]~~
	~~[[Category: Lipid some]]~~
	~~[[Category: Lipid transport]]~~
	~~[[Category: Lp]]~~
	~~[[Category: Msba]]~~
	~~[[Category: Translocase~~]]

OCA at 12:01, 23 March 2022

2022-03-23T12:01:06Z

← Older revision		Revision as of 12:01, 23 March 2022
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	==E. coli MsbA in complex with LPS and inhibitor G7090 (compound 3)==		==E. coli MsbA in complex with LPS and inhibitor G7090 (compound 3)==
	<StructureSection load='7sel' size='340' side='right'caption='[[7sel]]' scene=''>		<StructureSection load='7sel' size='340' side='right'caption='[[7sel]], [[Resolution\|resolution]] 2.98Å' 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=7SEL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7SEL FirstGlance]. <br>		<table><tr><td colspan='2'>[[7sel]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7SEL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7SEL 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=7sel FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7sel OCA], [https://pdbe.org/7sel PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7sel RCSB], [https://www.ebi.ac.uk/pdbsum/7sel PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7sel ProSAT]</span></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=95X:(2E)-3-{7-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic+acid'>95X</scene>, <scene name='pdbligand=KDL:(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic+acid'>KDL</scene></td></tr>
			<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/ABC-type_lipid_A-core_oligosaccharide_transporter ABC-type lipid A-core oligosaccharide transporter], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=7.5.2.6 7.5.2.6] </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=7sel FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7sel OCA], [https://pdbe.org/7sel PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7sel RCSB], [https://www.ebi.ac.uk/pdbsum/7sel PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7sel ProSAT]</span></td></tr>
	</table>		</table>
			== Function ==
			[[https://www.uniprot.org/uniprot/A0A140NBS6_ECOBD A0A140NBS6_ECOBD]] Involved in lipopolysaccharide (LPS) biosynthesis. Translocates lipid A-core from the inner to the outer leaflet of the inner membrane. Transmembrane domains (TMD) form a pore in the inner membrane and the ATP-binding domain (NBD) is responsible for energy generation.[HAMAP-Rule:MF_01703]
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			The dramatic increase in the prevalence of multi-drug resistant Gram-negative bacterial infections and the simultaneous lack of new classes of antibiotics is projected to result in approximately 10 million deaths per year by 2050. We report on efforts to target the Gram-negative ATP-binding cassette (ABC) transporter MsbA, an essential inner membrane protein that transports lipopolysaccharide from the inner leaflet to the periplasmic face of the inner membrane. We demonstrate the improvement of a high throughput screening hit into compounds with on-target single digit micromolar (muM) minimum inhibitory concentrations against wild-type uropathogenic Escherichia coli, Klebsiella pneumoniae, and Enterobacter cloacae. A 2.98 A resolution X-ray crystal structure of MsbA complexed with an inhibitor revealed a novel mechanism for inhibition of an ABC transporter. The identification of a fully encapsulated membrane binding site in Gram-negative bacteria led to unique physicochemical property requirements for wild-type activity.

			Discovery of Inhibitors of the Lipopolysaccharide Transporter MsbA: From a Screening Hit to Potent Wild-Type Gram-Negative Activity.,Verma VA, Wang L, Labadie SS, Liang J, Sellers BD, Wang J, Dong L, Wang Q, Zhang S, Xu Z, Zhang Y, Niu Y, Wang X, Wai J, Koehler MFT, Hu H, Alexander MK, Nishiyama M, Miu A, Xu Y, Pang J, Katakam AK, Reichelt M, Austin CD, Ho H, Payandeh J, Koth CM J Med Chem. 2022 Feb 20. doi: 10.1021/acs.jmedchem.1c01909. PMID:35184554<ref>PMID:35184554</ref>

			From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
			</div>
			<div class="pdbe-citations 7sel" style="background-color:#fffaf0;"></div>
			== References ==
			<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
			[[Category: ABC-type lipid A-core oligosaccharide transporter]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Koth CM]]		[[Category: Koth, C M]]
	[[Category: Payandeh J]]		[[Category: Payandeh, J]]
	[[Category: Verma VA]]		[[Category: Verma, V A]]
			[[Category: Inhibitor]]
			[[Category: Lipid some]]
			[[Category: Lipid transport]]
			[[Category: Lp]]
			[[Category: Msba]]
			[[Category: Translocase]]

OCA at 06:07, 9 March 2022

2022-03-09T06:07:35Z

← Older revision		Revision as of 06:07, 9 March 2022
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	~~'''Unreleased structure'''~~

	~~The entry~~ 7sel is ~~ON HOLD until Paper Publication~~		==E. coli MsbA in complex with LPS and inhibitor G7090 (compound 3)==
			<StructureSection load='7sel' size='340' side='right'caption='[[7sel]]' scene=''>
	~~Authors~~:		== Structural highlights ==
			<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7SEL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7SEL 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=7sel FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7sel OCA], [https://pdbe.org/7sel PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7sel RCSB], [https://www.ebi.ac.uk/pdbsum/7sel PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7sel ProSAT]</span></td></tr>
	[[Category: ~~Unreleased Structures~~]]		</table>
			__TOC__
			</StructureSection>
			[[Category: Large Structures]]
			[[Category: Koth CM]]
			[[Category: Payandeh J]]
			[[Category: Verma VA]]

OCA at 06:28, 23 February 2022

2022-02-23T06:28:11Z

← Older revision		Revision as of 06:28, 23 February 2022
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	'''Unreleased structure'''		'''Unreleased structure'''

	The entry 7sel is ON HOLD		The entry 7sel is ON HOLD until Paper Publication

	Authors:		Authors:

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

2021-10-06T04:19:30Z

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

← Older revision	Revision as of 04:19, 6 October 2021
(No difference)

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

2021-10-06T04:19:29Z

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

New page

'''Unreleased structure'''

The entry 7sel is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]