6aji - Revision history

OCA at 09:32, 22 November 2023

OCA — Wed, 22 Nov 2023 09:32:46 GMT

←Older revision		Revision as of 09:32, 22 November 2023
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	==Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with Rimonabant==		==Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with Rimonabant==
-	<StructureSection load='6aji' size='340' side='right' caption='[[6aji]], [[Resolution\|resolution]] 2.90Å' scene=''>	+	<StructureSection load='6aji' size='340' side='right'caption='[[6aji]], [[Resolution\|resolution]] 2.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6aji]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Bpt4 Bpt4~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6AJI OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6AJI FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6aji]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_virus_T4 Escherichia virus T4] and [https://en.wikipedia.org/wiki/Mycolicibacterium_smegmatis_MC2_155 Mycolicibacterium smegmatis MC2 155]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6AJI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6AJI FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AY6:5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide'>AY6</scene>, <scene name='pdbligand=L6T:alpha-D-glucopyranosyl+6-O-dodecyl-alpha-D-glucopyranoside'>L6T</scene>, <scene name='pdbligand=MHA:(CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC+ACID'>MHA</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]] 2.9Å</td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">e, T4Tp126 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10665 BPT4])</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AY6:5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide'>AY6</scene>, <scene name='pdbligand=L6T:alpha-D-glucopyranosyl+6-O-dodecyl-alpha-D-glucopyranoside'>L6T</scene>, <scene name='pdbligand=MHA:(CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC+ACID'>MHA</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Lysozyme Lysozyme], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.17 3.2.1.17] </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=6aji FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6aji OCA], [https://pdbe.org/6aji PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6aji RCSB], [https://www.ebi.ac.uk/pdbsum/6aji PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6aji 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=6aji FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6aji OCA], [~~http~~://pdbe.org/6aji PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6aji RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6aji PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6aji ProSAT]</span></td></tr>	+
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/D9IEF7_BPT4 D9IEF7_BPT4] [https://www.uniprot.org/uniprot/MMPL3_MYCS2 MMPL3_MYCS2] Transports trehalose monomycolate (TMM) to the cell wall (PubMed:31239378, PubMed:22520756, PubMed:28698380). Flips TMM across the inner membrane. Membrane potential is not required for this function (PubMed:28698380). Transports probably phosphatidylethanolamine (PE) as well. Binds specifically both TMM and PE, but not trehalose dimycolate (TDM). Binds also diacylglycerol (DAG) and other phospholipids, including phosphatidylglycerol (PG), phosphatidylinositol (PI), and cardiolipin (CDL) (PubMed:31113875). Contributes to membrane potential, cell wall composition, antibiotic susceptibility and fitness (PubMed:28703701).<ref>PMID:22520756</ref> <ref>PMID:28698380</ref> <ref>PMID:28703701</ref> <ref>PMID:31113875</ref> <ref>PMID:31239378</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 22:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Bpt4~~]]	+	[[Category: Escherichia virus T4]]
-	[[Category: ~~Lysozyme~~]]	+	[[Category: Large Structures]]
-	[[Category: Li, J]]	+	[[Category: Mycolicibacterium smegmatis MC2 155]]
-	[[Category: Rao~~, Z H~~]]	+	[[Category: Li J]]
-	[[Category: Wu~~, L J~~]]	+	[[Category: Rao ZH]]
-	[[Category: Yang~~, H T~~]]	+	[[Category: Wu LJ]]
-	[[Category: Yang~~, X L~~]]	+	[[Category: Yang HT]]
-	[[Category: Zhang, B]]	+	[[Category: Yang XL]]
-	~~[[Category: Cell wall biosynthesis]]~~	+	[[Category: Zhang B]]
-	~~[[Category: Drug target]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Membrane protein]]~~	+
-	~~[[Category: Rnd family]]~~	+
-	~~[[Category: Transporter~~]]	+

OCA at 09:42, 13 February 2019

OCA — Wed, 13 Feb 2019 09:42:59 GMT

←Older revision		Revision as of 09:42, 13 February 2019
Line 3:		Line 3:
	<StructureSection load='6aji' size='340' side='right' caption='[[6aji]], [[Resolution\|resolution]] 2.90Å' scene=''>		<StructureSection load='6aji' size='340' side='right' caption='[[6aji]], [[Resolution\|resolution]] 2.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6aji]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6AJI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6AJI FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6aji]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bpt4 Bpt4]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6AJI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6AJI FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AY6:5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide'>AY6</scene>, <scene name='pdbligand=L6T:alpha-D-glucopyranosyl+6-O-dodecyl-alpha-D-glucopyranoside'>L6T</scene>, <scene name='pdbligand=MHA:(CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC+ACID'>MHA</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AY6:5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide'>AY6</scene>, <scene name='pdbligand=L6T:alpha-D-glucopyranosyl+6-O-dodecyl-alpha-D-glucopyranoside'>L6T</scene>, <scene name='pdbligand=MHA:(CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC+ACID'>MHA</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">e, T4Tp126 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10665 BPT4])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Lysozyme Lysozyme], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.17 3.2.1.17] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Lysozyme Lysozyme], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.17 3.2.1.17] </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=6aji FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6aji OCA], [http://pdbe.org/6aji PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6aji RCSB], [http://www.ebi.ac.uk/pdbsum/6aji PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6aji 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=6aji FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6aji OCA], [http://pdbe.org/6aji PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6aji RCSB], [http://www.ebi.ac.uk/pdbsum/6aji PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6aji ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Despite intensive efforts to discover highly effective treatments to eradicate tuberculosis (TB), it remains as a major threat to global human health. For this reason, new TB drugs directed toward new targets are highly coveted. MmpLs (Mycobacterial membrane proteins Large), which play crucial roles in transporting lipids, polymers and immunomodulators and which also extrude therapeutic drugs, are among the most important therapeutic drug targets to emerge in recent times. Here, crystal structures of mycobacterial MmpL3 alone and in complex with four TB drug candidates, including SQ109 (in Phase 2b-3 clinical trials), are reported. MmpL3 consists of a periplasmic pore domain and a twelve-helix transmembrane domain. Two Asp-Tyr pairs centrally located in this domain appear to be key facilitators of proton-translocation. SQ109, AU1235, ICA38, and rimonabant bind inside the transmembrane region and disrupt these Asp-Tyr pairs. This structural data will greatly advance the development of MmpL3 inhibitors as new TB drugs.
		+
		+	Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.,Zhang B, Li J, Yang X, Wu L, Zhang J, Yang Y, Zhao Y, Zhang L, Yang X, Yang X, Cheng X, Liu Z, Jiang B, Jiang H, Guddat LW, Yang H, Rao Z Cell. 2019 Jan 24;176(3):636-648.e13. doi: 10.1016/j.cell.2019.01.003. PMID:30682372<ref>PMID:30682372</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6aji" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Bpt4]]
	[[Category: Lysozyme]]		[[Category: Lysozyme]]
	[[Category: Li, J]]		[[Category: Li, J]]

OCA at 08:14, 26 December 2018

OCA — Wed, 26 Dec 2018 08:14:34 GMT

←Older revision		Revision as of 08:14, 26 December 2018
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6aji ~~is ON HOLD~~	+	==Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with Rimonabant==
-		+	<StructureSection load='6aji' size='340' side='right' caption='[[6aji]], [[Resolution\|resolution]] 2.90Å' scene=''>
-	~~Authors~~: ~~Zhang, B~~., Li, J., ~~Yang~~, X.L., Wu, L.J., ~~Yang, H~~.T., ~~Rao, Z~~.H.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[6aji]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6AJI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6AJI FirstGlance]. <br>
-	~~Description: Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with Rimonabant~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AY6:5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide'>AY6</scene>, <scene name='pdbligand=L6T:alpha-D-glucopyranosyl+6-O-dodecyl-alpha-D-glucopyranoside'>L6T</scene>, <scene name='pdbligand=MHA:(CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC+ACID'>MHA</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/Lysozyme Lysozyme], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.17 3.2.1.17] </span></td></tr>
-	[[Category: ~~Wu, L.J~~]]	+	<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=6aji FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6aji OCA], [http://pdbe.org/6aji PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6aji RCSB], [http://www.ebi.ac.uk/pdbsum/6aji PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6aji ProSAT]</span></td></tr>
		+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Lysozyme]]
	[[Category: Li, J]]		[[Category: Li, J]]
		+	[[Category: Rao, Z H]]
		+	[[Category: Wu, L J]]
		+	[[Category: Yang, H T]]
		+	[[Category: Yang, X L]]
	[[Category: Zhang, B]]		[[Category: Zhang, B]]
-	[[Category: ~~Yang, H.T~~]]	+	[[Category: Cell wall biosynthesis]]
-	[[Category: ~~Yang, X.L~~]]	+	[[Category: Drug target]]
-	[[Category: ~~Rao, Z.H~~]]	+	[[Category: Hydrolase]]
		+	[[Category: Membrane protein]]
		+	[[Category: Rnd family]]
		+	[[Category: Transporter]]

OCA at 18:25, 2 December 2018

OCA — Sun, 02 Dec 2018 18:25:39 GMT

←Older revision		Revision as of 18:25, 2 December 2018
Line 5:		Line 5:
	Authors: Zhang, B., Li, J., Yang, X.L., Wu, L.J., Yang, H.T., Rao, Z.H.		Authors: Zhang, B., Li, J., Yang, X.L., Wu, L.J., Yang, H.T., Rao, Z.H.

-	Description: ~~membrane protein~~	+	Description: Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with Rimonabant
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
	[[Category: Wu, L.J]]		[[Category: Wu, L.J]]
		+	[[Category: Li, J]]
	[[Category: Zhang, B]]		[[Category: Zhang, B]]
	[[Category: Yang, H.T]]		[[Category: Yang, H.T]]
	[[Category: Yang, X.L]]		[[Category: Yang, X.L]]
	[[Category: Rao, Z.H]]		[[Category: Rao, Z.H]]
-	[[Category: Li, J]]

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

OCA — Wed, 05 Sep 2018 08:37:40 GMT

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

←Older revision

Revision as of 08:37, 5 September 2018

OCA: New page: '''Unreleased structure''' The entry 6aji is ON HOLD Authors: Zhang, B., Li, J., Yang, X.L., Wu, L.J., Yang, H.T., Rao, Z.H. Description: membrane protein [[Category: Unreleased Struct...

OCA — Wed, 05 Sep 2018 08:37:39 GMT

New page: '''Unreleased structure''' The entry 6aji is ON HOLD Authors: Zhang, B., Li, J., Yang, X.L., Wu, L.J., Yang, H.T., Rao, Z.H. Description: membrane protein [[Category: Unreleased Struct...

New page

'''Unreleased structure'''

The entry 6aji is ON HOLD

Authors: Zhang, B., Li, J., Yang, X.L., Wu, L.J., Yang, H.T., Rao, Z.H.

Description: membrane protein
[[Category: Unreleased Structures]]
[[Category: Wu, L.J]]
[[Category: Zhang, B]]
[[Category: Yang, H.T]]
[[Category: Yang, X.L]]
[[Category: Rao, Z.H]]
[[Category: Li, J]]