6usa - Revision history

OCA at 09:16, 25 October 2023

OCA — Wed, 25 Oct 2023 09:16:05 GMT

←Older revision		Revision as of 09:16, 25 October 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[6usa]] is a 8 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_H37Rv Mycobacterium tuberculosis H37Rv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6USA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6USA FirstGlance]. <br>		<table><tr><td colspan='2'>[[6usa]] is a 8 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_H37Rv Mycobacterium tuberculosis H37Rv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6USA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6USA FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=MLI:MALONATE+ION'>MLI</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=P1T:2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC+ACID'>P1T</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PZJ:(3R,4R)-4-[4-(2-Chlorophenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol'>PZJ</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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]] 2.406Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=MLI:MALONATE+ION'>MLI</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=P1T:2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC+ACID'>P1T</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PZJ:(3R,4R)-4-[4-(2-Chlorophenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol'>PZJ</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=6usa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6usa OCA], [https://pdbe.org/6usa PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6usa RCSB], [https://www.ebi.ac.uk/pdbsum/6usa PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6usa 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=6usa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6usa OCA], [https://pdbe.org/6usa PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6usa RCSB], [https://www.ebi.ac.uk/pdbsum/6usa PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6usa ProSAT]</span></td></tr>
	</table>		</table>

OCA at 12:03, 1 February 2023

OCA — Wed, 01 Feb 2023 12:03:11 GMT

←Older revision		Revision as of 12:03, 1 February 2023
Line 8:		Line 8:
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/TRPA_MYCTU TRPA_MYCTU]] The alpha subunit is responsible for the aldol cleavage of indoleglycerol phosphate to indole and glyceraldehyde 3-phosphate.	+	[https://www.uniprot.org/uniprot/TRPA_MYCTU TRPA_MYCTU] The alpha subunit is responsible for the aldol cleavage of indoleglycerol phosphate to indole and glyceraldehyde 3-phosphate.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 19:42, 7 September 2022

OCA — Wed, 07 Sep 2022 19:42:14 GMT

←Older revision		Revision as of 19:42, 7 September 2022
Line 1:		Line 1:

-	====	+	==Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate- and GSK1-bound form==
-	<StructureSection load='6usa' size='340' side='right'caption='[[6usa]]' scene=''>	+	<StructureSection load='6usa' size='340' side='right'caption='[[6usa]], [[Resolution\|resolution]] 2.41Å' 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'>[[6usa]] is a 8 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_H37Rv Mycobacterium tuberculosis H37Rv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6USA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6USA 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=6usa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6usa OCA], [https://pdbe.org/6usa PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6usa RCSB], [https://www.ebi.ac.uk/pdbsum/6usa PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6usa 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=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=MLI:MALONATE+ION'>MLI</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=P1T:2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC+ACID'>P1T</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PZJ:(3R,4R)-4-[4-(2-Chlorophenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol'>PZJ</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=6usa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6usa OCA], [https://pdbe.org/6usa PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6usa RCSB], [https://www.ebi.ac.uk/pdbsum/6usa PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6usa ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[https://www.uniprot.org/uniprot/TRPA_MYCTU TRPA_MYCTU]] The alpha subunit is responsible for the aldol cleavage of indoleglycerol phosphate to indole and glyceraldehyde 3-phosphate.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Global dispersion of multidrug resistant bacteria is very common and evolution of antibiotic-resistance is occurring at an alarming rate, presenting a formidable challenge for humanity. The development of new therapeuthics with novel molecular targets is urgently needed. Current drugs primarily affect protein, nucleic acid, and cell wall synthesis. Metabolic pathways, including those involved in amino acid biosynthesis, have recently sparked interest in the drug discovery community as potential reservoirs of such novel targets. Tryptophan biosynthesis, utilized by bacteria but absent in humans, represents one of the currently studied processes with a therapeutic focus. It has been shown that tryptophan synthase (TrpAB) is required for survival of Mycobacterium tuberculosis in macrophages and for evading host defense, and therefore is a promising drug target. Here we present crystal structures of TrpAB with two allosteric inhibitors of M. tuberculosis tryptophan synthase that belong to sulfolane and indole-5-sulfonamide chemical scaffolds. We compare our results with previously reported structural and biochemical studies of another, azetidine-containing M. tuberculosis tryptophan synthase inhibitor. This work shows how structurally distinct ligands can occupy the same allosteric site and make specific interactions. It also highlights the potential benefit of targeting more variable allosteric sites of important metabolic enzymes.
		+
		+	Allosteric inhibitors of Mycobacterium tuberculosis tryptophan synthase.,Michalska K, Chang C, Maltseva NI, Jedrzejczak R, Robertson GT, Gusovsky F, McCarren P, Schreiber SL, Nag PP, Joachimiak A Protein Sci. 2020 Mar;29(3):779-788. doi: 10.1002/pro.3825. Epub 2020 Jan 20. PMID:31930594<ref>PMID:31930594</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6usa" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Tryptophan synthase 3D structures\|Tryptophan synthase 3D structures]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Z-disk~~]]	+	[[Category: Mycobacterium tuberculosis H37Rv]]
		+	[[Category: Chang C]]
		+	[[Category: Jedrzejczak R]]
		+	[[Category: Joachimiak A]]
		+	[[Category: Maltseva NI]]
		+	[[Category: McCarren P]]
		+	[[Category: Michalska K]]
		+	[[Category: Nag PP]]

OCA at 06:41, 31 August 2022

OCA — Wed, 31 Aug 2022 06:41:11 GMT

←Older revision		Revision as of 06:41, 31 August 2022
Line 3:		Line 3:
	<StructureSection load='6usa' size='340' side='right'caption='[[6usa]]' scene=''>		<StructureSection load='6usa' size='340' side='right'caption='[[6usa]]' 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 [~~http~~://proteopedia.org/fgij/fg.htm?mol= FirstGlance]. <br>	+	<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>
-	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=6usa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6usa OCA], [~~http~~://pdbe.org/6usa PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6usa RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6usa PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6usa ProSAT]</span></td></tr>	+	</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=6usa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6usa OCA], [https://pdbe.org/6usa PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6usa RCSB], [https://www.ebi.ac.uk/pdbsum/6usa PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6usa ProSAT]</span></td></tr>
	</table>		</table>
	__TOC__		__TOC__

OCA at 07:08, 30 September 2020

OCA — Wed, 30 Sep 2020 07:08:54 GMT

←Older revision		Revision as of 07:08, 30 September 2020
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6usa ~~is ON HOLD until Paper Publication~~	+	====
-		+	<StructureSection load='6usa' size='340' side='right'caption='[[6usa]]' scene=''>
-	~~Authors~~: ~~Chang, C~~.~~, Michalska, K~~.~~, Maltseva, N~~.I.~~, Jedrzejczak, R~~.~~, McCarren, P~~.~~, Nag, P.P., Joachimiak, A~~.	+	== 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 [http://proteopedia.org/fgij/fg.htm?mol= FirstGlance]. <br>
-	~~Description~~: ~~Crystal structure of tryptophan synthase from M. tuberculosis -aminoacrylate-and GSK1-bound form~~	+	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6usa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6usa OCA], [http://pdbe.org/6usa PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6usa RCSB], [http://www.ebi.ac.uk/pdbsum/6usa PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6usa ProSAT]</span></td></tr>
-	[~~[Category~~: ~~Unreleased Structures~~]]	+	</table>
-	[~~[Category~~: ~~Michalska, K~~]]	+	__TOC__
-	[~~[Category~~: ~~Mccarren, P~~]]	+	</StructureSection>
-	[[~~Category~~: ~~Chang~~, ~~C]]~~	+	[[Category: Large Structures]]
-	[~~[Category~~: ~~Joachimiak~~, ~~A]]~~	+	[[Category: Z-disk]]
-	[~~[Category~~: ~~Nag, P~~.P]]	+
-	[[Category: ~~Jedrzejczak, R~~]]	+
-	[[Category: ~~Maltseva, N.I~~]]	+

OCA at 03:46, 5 August 2020

OCA — Wed, 05 Aug 2020 03:46:39 GMT

←Older revision		Revision as of 03:46, 5 August 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6usa is ON HOLD	+	The entry 6usa is ON HOLD until Paper Publication

	Authors: Chang, C., Michalska, K., Maltseva, N.I., Jedrzejczak, R., McCarren, P., Nag, P.P., Joachimiak, A.		Authors: Chang, C., Michalska, K., Maltseva, N.I., Jedrzejczak, R., McCarren, P., Nag, P.P., Joachimiak, A.
Line 9:		Line 9:
	[[Category: Michalska, K]]		[[Category: Michalska, K]]
	[[Category: Mccarren, P]]		[[Category: Mccarren, P]]
-	[[Category: Joachimiak, A]]
-	[[Category: Maltseva, N.I]]
-	[[Category: Jedrzejczak, R]]
	[[Category: Chang, C]]		[[Category: Chang, C]]
		+	[[Category: Joachimiak, A]]
	[[Category: Nag, P.P]]		[[Category: Nag, P.P]]
		+	[[Category: Jedrzejczak, R]]
		+	[[Category: Maltseva, N.I]]

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

OCA — Wed, 06 Nov 2019 05:18:47 GMT

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

←Older revision

Revision as of 05:18, 6 November 2019

OCA: New page: '''Unreleased structure''' The entry 6usa is ON HOLD Authors: Chang, C., Michalska, K., Maltseva, N.I., Jedrzejczak, R., McCarren, P., Nag, P.P., Joachimiak, A. Description: Crystal st...

OCA — Wed, 06 Nov 2019 05:18:45 GMT

New page: '''Unreleased structure''' The entry 6usa is ON HOLD Authors: Chang, C., Michalska, K., Maltseva, N.I., Jedrzejczak, R., McCarren, P., Nag, P.P., Joachimiak, A. Description: Crystal st...

New page

'''Unreleased structure'''

The entry 6usa is ON HOLD

Authors: Chang, C., Michalska, K., Maltseva, N.I., Jedrzejczak, R., McCarren, P., Nag, P.P., Joachimiak, A.

Description: Crystal structure of tryptophan synthase from M. tuberculosis -aminoacrylate-and GSK1-bound form
[[Category: Unreleased Structures]]
[[Category: Michalska, K]]
[[Category: Mccarren, P]]
[[Category: Joachimiak, A]]
[[Category: Maltseva, N.I]]
[[Category: Jedrzejczak, R]]
[[Category: Chang, C]]
[[Category: Nag, P.P]]