2y76 - Revision history

OCA at 08:09, 23 August 2023

OCA — Wed, 23 Aug 2023 08:09:44 GMT

←Older revision		Revision as of 08:09, 23 August 2023
Line 3:		Line 3:
	<StructureSection load='2y76' size='340' side='right'caption='[[2y76]], [[Resolution\|resolution]] 2.50Å' scene=''>		<StructureSection load='2y76' size='340' side='right'caption='[[2y76]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2y76]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus~~ tuberculosis~~" (zopf 1883) klein 1884~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Y76 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2Y76 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2y76]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Y76 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2Y76 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CB7:(1R,4S,5R)-3-(BENZO[B]THIOPHEN-5-YL)METHOXY-2-(BENZO[B]THIOPHEN-5-YL)METHYL-1,4,5-TRIHYDROXYCYCLOHEX-2-ENE-1-CARBOXYLATE'>CB7</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]] 2.5Å</td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1h0r\|1h0r]], [[2y71\|2y71]], [[2xb8\|2xb8]], [[1h05\|1h05]], [[1h0s\|1h0s]], [[2dhq\|2dhq]], [[2y77\|2y77]]</div></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CB7:(1R,4S,5R)-3-(BENZO[B]THIOPHEN-5-YL)METHOXY-2-(BENZO[B]THIOPHEN-5-YL)METHYL-1,4,5-TRIHYDROXYCYCLOHEX-2-ENE-1-CARBOXYLATE'>CB7</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/3-dehydroquinate_dehydratase 3-dehydroquinate dehydratase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.10 4.2.1.10] </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=2y76 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2y76 OCA], [https://pdbe.org/2y76 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2y76 RCSB], [https://www.ebi.ac.uk/pdbsum/2y76 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2y76 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=2y76 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2y76 OCA], [https://pdbe.org/2y76 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2y76 RCSB], [https://www.ebi.ac.uk/pdbsum/2y76 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2y76 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/AROQ_MYCTU AROQ_MYCTU]] Catalyzes a trans-dehydration via an enolate intermediate (By similarity).[HAMAP-Rule:MF_00169]	+	[https://www.uniprot.org/uniprot/AROQ_MYCTU AROQ_MYCTU] Catalyzes a trans-dehydration via an enolate intermediate (By similarity).[HAMAP-Rule:MF_00169]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 27:		Line 26:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: 3-dehydroquinate dehydratase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Ainsa~~, J A~~]]	+	[[Category: Mycobacterium tuberculosis]]
-	[[Category: Castedo, L]]	+	[[Category: Ainsa JA]]
-	[[Category: Fox~~, G C~~]]	+	[[Category: Castedo L]]
-	[[Category: Gonzalez-Bello, C]]	+	[[Category: Fox GC]]
-	[[Category: Hawkins~~, A R~~]]	+	[[Category: Gonzalez-Bello C]]
-	[[Category: Lamb, H]]	+	[[Category: Hawkins AR]]
-	[[Category: Llamas-Saiz~~, A L~~]]	+	[[Category: Lamb H]]
-	[[Category: Otero~~, J M~~]]	+	[[Category: Llamas-Saiz AL]]
-	[[Category: Prazeres~~, V F.V]]~~	+	[[Category: Otero JM]]
-	~~[[Category: Raaij, M J.van~~]]	+	[[Category: Prazeres VFV]]
-	[[Category: Tizon, L]]	+	[[Category: Tizon L]]
-	[[Category: ~~Amino acid biosynthesis]]~~	+	[[Category: Van Raaij MJ]]
-	~~[[Category: Lyase~~]]	+

OCA at 15:00, 17 November 2021

OCA — Wed, 17 Nov 2021 15:00:55 GMT

←Older revision		Revision as of 15:00, 17 November 2021
Line 3:		Line 3:
	<StructureSection load='2y76' size='340' side='right'caption='[[2y76]], [[Resolution\|resolution]] 2.50Å' scene=''>		<StructureSection load='2y76' size='340' side='right'caption='[[2y76]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2y76]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus tuberculosis" (zopf 1883) klein 1884]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Y76 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2Y76 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2y76]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus tuberculosis" (zopf 1883) klein 1884]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Y76 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2Y76 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CB7:(1R,4S,5R)-3-(BENZO[B]THIOPHEN-5-YL)METHOXY-2-(BENZO[B]THIOPHEN-5-YL)METHYL-1,4,5-TRIHYDROXYCYCLOHEX-2-ENE-1-CARBOXYLATE'>CB7</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CB7:(1R,4S,5R)-3-(BENZO[B]THIOPHEN-5-YL)METHOXY-2-(BENZO[B]THIOPHEN-5-YL)METHYL-1,4,5-TRIHYDROXYCYCLOHEX-2-ENE-1-CARBOXYLATE'>CB7</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1h0r\|1h0r]], [[2y71\|2y71]], [[2xb8\|2xb8]], [[1h05\|1h05]], [[1h0s\|1h0s]], [[2dhq\|2dhq]], [[2y77\|2y77]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1h0r\|1h0r]], [[2y71\|2y71]], [[2xb8\|2xb8]], [[1h05\|1h05]], [[1h0s\|1h0s]], [[2dhq\|2dhq]], [[2y77\|2y77]]</div></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/3-dehydroquinate_dehydratase 3-dehydroquinate dehydratase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.10 4.2.1.10] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/3-dehydroquinate_dehydratase 3-dehydroquinate dehydratase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.10 4.2.1.10] </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=2y76 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2y76 OCA], [~~http~~://pdbe.org/2y76 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2y76 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2y76 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2y76 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=2y76 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2y76 OCA], [https://pdbe.org/2y76 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2y76 RCSB], [https://www.ebi.ac.uk/pdbsum/2y76 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2y76 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/AROQ_MYCTU AROQ_MYCTU]] Catalyzes a trans-dehydration via an enolate intermediate (By similarity).[HAMAP-Rule:MF_00169]	+	[[https://www.uniprot.org/uniprot/AROQ_MYCTU AROQ_MYCTU]] Catalyzes a trans-dehydration via an enolate intermediate (By similarity).[HAMAP-Rule:MF_00169]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 14:03, 25 December 2019

OCA — Wed, 25 Dec 2019 14:03:29 GMT

←Older revision		Revision as of 14:03, 25 December 2019
Line 1:		Line 1:

	==Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-3-(benzo(b)thiophen-5-ylmethoxy)-2-(benzo(b) thiophen-5-ylmethyl)-1,4,5-trihydroxycyclohex-2-enecarboxylate==		==Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-3-(benzo(b)thiophen-5-ylmethoxy)-2-(benzo(b) thiophen-5-ylmethyl)-1,4,5-trihydroxycyclohex-2-enecarboxylate==
-	<StructureSection load='2y76' size='340' side='right' caption='[[2y76]], [[Resolution\|resolution]] 2.50Å' scene=''>	+	<StructureSection load='2y76' size='340' side='right'caption='[[2y76]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2y76]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus tuberculosis" (zopf 1883) klein 1884]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Y76 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2Y76 FirstGlance]. <br>		<table><tr><td colspan='2'>[[2y76]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus tuberculosis" (zopf 1883) klein 1884]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Y76 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2Y76 FirstGlance]. <br>
Line 20:		Line 20:
	</div>		</div>
	<div class="pdbe-citations 2y76" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 2y76" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Dehydroquinase 3D structures\|Dehydroquinase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 25:		Line 28:
	</StructureSection>		</StructureSection>
	[[Category: 3-dehydroquinate dehydratase]]		[[Category: 3-dehydroquinate dehydratase]]
		+	[[Category: Large Structures]]
	[[Category: Ainsa, J A]]		[[Category: Ainsa, J A]]
	[[Category: Castedo, L]]		[[Category: Castedo, L]]

OCA at 06:32, 7 February 2018

OCA — Wed, 07 Feb 2018 06:32:03 GMT

←Older revision		Revision as of 06:32, 7 February 2018
Line 1:		Line 1:

-	==~~STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS TYPE~~ II ~~DEHYDROQUINASE COMPLEXED WITH~~ (1R,4S,5R)-3-(~~BENZO~~(B) ~~THIOPHEN~~-5-~~YLMETHOXY~~)-2-(~~BENZO~~(B)~~THIOPHEN~~-5-~~YLMETHYL~~)-1,4, 5-~~TRIHYDROXYCYCLOHEX~~-2-~~ENECARBOXYLATE~~==	+	==Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-3-(benzo(b)thiophen-5-ylmethoxy)-2-(benzo(b) thiophen-5-ylmethyl)-1,4,5-trihydroxycyclohex-2-enecarboxylate==
	<StructureSection load='2y76' size='340' side='right' caption='[[2y76]], [[Resolution\|resolution]] 2.50Å' scene=''>		<StructureSection load='2y76' size='340' side='right' caption='[[2y76]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
Line 20:		Line 20:
	</div>		</div>
	<div class="pdbe-citations 2y76" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 2y76" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Dehydroquinase\|Dehydroquinase]]
	== References ==		== References ==
	<references/>		<references/>
Line 37:		Line 34:
	[[Category: Otero, J M]]		[[Category: Otero, J M]]
	[[Category: Prazeres, V F.V]]		[[Category: Prazeres, V F.V]]
-	[[Category: Raaij, M J.~~Van~~]]	+	[[Category: Raaij, M J.van]]
	[[Category: Tizon, L]]		[[Category: Tizon, L]]
	[[Category: Amino acid biosynthesis]]		[[Category: Amino acid biosynthesis]]
	[[Category: Lyase]]		[[Category: Lyase]]

OCA at 20:47, 4 August 2016

OCA — Thu, 04 Aug 2016 20:47:18 GMT

←Older revision		Revision as of 20:47, 4 August 2016
Line 1:		Line 1:
		+
	==STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS TYPE II DEHYDROQUINASE COMPLEXED WITH (1R,4S,5R)-3-(BENZO(B) THIOPHEN-5-YLMETHOXY)-2-(BENZO(B)THIOPHEN-5-YLMETHYL)-1,4, 5-TRIHYDROXYCYCLOHEX-2-ENECARBOXYLATE==		==STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS TYPE II DEHYDROQUINASE COMPLEXED WITH (1R,4S,5R)-3-(BENZO(B) THIOPHEN-5-YLMETHOXY)-2-(BENZO(B)THIOPHEN-5-YLMETHYL)-1,4, 5-TRIHYDROXYCYCLOHEX-2-ENECARBOXYLATE==
	<StructureSection load='2y76' size='340' side='right' caption='[[2y76]], [[Resolution\|resolution]] 2.50Å' scene=''>		<StructureSection load='2y76' size='340' side='right' caption='[[2y76]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2y76]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Mycobacterium_tuberculosis Mycobacterium~~ tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Y76 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2Y76 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2y76]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus tuberculosis" (zopf 1883) klein 1884]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Y76 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2Y76 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CB7:(1R,4S,5R)-3-(BENZO[B]THIOPHEN-5-YL)METHOXY-2-(BENZO[B]THIOPHEN-5-YL)METHYL-1,4,5-TRIHYDROXYCYCLOHEX-2-ENE-1-CARBOXYLATE'>CB7</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CB7:(1R,4S,5R)-3-(BENZO[B]THIOPHEN-5-YL)METHOXY-2-(BENZO[B]THIOPHEN-5-YL)METHYL-1,4,5-TRIHYDROXYCYCLOHEX-2-ENE-1-CARBOXYLATE'>CB7</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1h0r\|1h0r]], [[2y71\|2y71]], [[2xb8\|2xb8]], [[1h05\|1h05]], [[1h0s\|1h0s]], [[2dhq\|2dhq]], [[2y77\|2y77]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1h0r\|1h0r]], [[2y71\|2y71]], [[2xb8\|2xb8]], [[1h05\|1h05]], [[1h0s\|1h0s]], [[2dhq\|2dhq]], [[2y77\|2y77]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3-dehydroquinate_dehydratase 3-dehydroquinate dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.10 4.2.1.10] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3-dehydroquinate_dehydratase 3-dehydroquinate dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.10 4.2.1.10] </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=2y76 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2y76 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2y76 RCSB], [http://www.ebi.ac.uk/pdbsum/2y76 PDBsum]</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=2y76 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2y76 OCA], [http://pdbe.org/2y76 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2y76 RCSB], [http://www.ebi.ac.uk/pdbsum/2y76 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2y76 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 19:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 2y76" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 26:		Line 28:
	</StructureSection>		</StructureSection>
	[[Category: 3-dehydroquinate dehydratase]]		[[Category: 3-dehydroquinate dehydratase]]
-	[[Category: Mycobacterium tuberculosis]]
	[[Category: Ainsa, J A]]		[[Category: Ainsa, J A]]
	[[Category: Castedo, L]]		[[Category: Castedo, L]]

OCA at 19:30, 24 December 2014

OCA — Wed, 24 Dec 2014 19:30:34 GMT

←Older revision		Revision as of 19:30, 24 December 2014
Line 2:		Line 2:
	<StructureSection load='2y76' size='340' side='right' caption='[[2y76]], [[Resolution\|resolution]] 2.50Å' scene=''>		<StructureSection load='2y76' size='340' side='right' caption='[[2y76]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2y76]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Y76 OCA]. <br>	+	<table><tr><td colspan='2'>[[2y76]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Y76 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2Y76 FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CB7:(1R,4S,5R)-3-(BENZO[B]THIOPHEN-5-YL)METHOXY-2-(BENZO[B]THIOPHEN-5-YL)METHYL-1,4,5-TRIHYDROXYCYCLOHEX-2-ENE-1-CARBOXYLATE'>CB7</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CB7:(1R,4S,5R)-3-(BENZO[B]THIOPHEN-5-YL)METHOXY-2-(BENZO[B]THIOPHEN-5-YL)METHYL-1,4,5-TRIHYDROXYCYCLOHEX-2-ENE-1-CARBOXYLATE'>CB7</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1h0r\|1h0r]], [[2y71\|2y71]], [[2xb8\|2xb8]], [[1h05\|1h05]], [[1h0s\|1h0s]], [[2dhq\|2dhq]], [[2y77\|2y77]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1h0r\|1h0r]], [[2y71\|2y71]], [[2xb8\|2xb8]], [[1h05\|1h05]], [[1h0s\|1h0s]], [[2dhq\|2dhq]], [[2y77\|2y77]]</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/~~Glucokinase Glucokinase~~], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3-dehydroquinate_dehydratase 3-dehydroquinate dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.10 4.2.1.10] </span></td></tr>
-	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2y76 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2y76 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2y76 RCSB], [http://www.ebi.ac.uk/pdbsum/2y76 PDBsum]</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=2y76 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2y76 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2y76 RCSB], [http://www.ebi.ac.uk/pdbsum/2y76 PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/AROQ_MYCTU AROQ_MYCTU]] Catalyzes a trans-dehydration via an enolate intermediate (By similarity).[HAMAP-Rule:MF_00169]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 14:		Line 16:
	A Prodrug Approach for Improving Antituberculosis Activity of Potent Mycobacterium tuberculosis Type II Dehydroquinase Inhibitors.,Tizon L, Otero JM, Prazeres VF, Llamas-Saiz AL, Fox GC, van Raaij MJ, Lamb H, Hawkins AR, Ainsa JA, Castedo L, Gonzalez-Bello C J Med Chem. 2011 Aug 3. PMID:21780742<ref>PMID:21780742</ref>		A Prodrug Approach for Improving Antituberculosis Activity of Potent Mycobacterium tuberculosis Type II Dehydroquinase Inhibitors.,Tizon L, Otero JM, Prazeres VF, Llamas-Saiz AL, Fox GC, van Raaij MJ, Lamb H, Hawkins AR, Ainsa JA, Castedo L, Gonzalez-Bello C J Med Chem. 2011 Aug 3. PMID:21780742<ref>PMID:21780742</ref>

-	From ~~MEDLINEÂ®~~/~~PubMedÂ®~~, a database of the U.S. National Library of Medicine.<br>	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+
		+	==See Also==
		+	*[[Dehydroquinase\|Dehydroquinase]]
	== References ==		== References ==
	<references/>		<references/>
Line 22:		Line 27:
	[[Category: 3-dehydroquinate dehydratase]]		[[Category: 3-dehydroquinate dehydratase]]
	[[Category: Mycobacterium tuberculosis]]		[[Category: Mycobacterium tuberculosis]]
-	[[Category: Ainsa, J A.]]	+	[[Category: Ainsa, J A]]
-	[[Category: Castedo, L.]]	+	[[Category: Castedo, L]]
-	[[Category: Fox, G C.]]	+	[[Category: Fox, G C]]
-	[[Category: Gonzalez-Bello, C.]]	+	[[Category: Gonzalez-Bello, C]]
-	[[Category: Hawkins, A R.]]	+	[[Category: Hawkins, A R]]
-	[[Category: Lamb, H.]]	+	[[Category: Lamb, H]]
-	[[Category: Llamas-Saiz, A L.]]	+	[[Category: Llamas-Saiz, A L]]
-	[[Category: Otero, J M.]]	+	[[Category: Otero, J M]]
-	[[Category: Prazeres, V F.V.]]	+	[[Category: Prazeres, V F.V]]
-	[[Category: Raaij, M J.Van.]]	+	[[Category: Raaij, M J.Van]]
-	[[Category: Tizon, L.]]	+	[[Category: Tizon, L]]
	[[Category: Amino acid biosynthesis]]		[[Category: Amino acid biosynthesis]]
	[[Category: Lyase]]		[[Category: Lyase]]

OCA at 07:45, 14 May 2014

OCA — Wed, 14 May 2014 07:45:44 GMT

←Older revision		Revision as of 07:45, 14 May 2014
Line 1:		Line 1:
-	[[~~Image:~~2y76.~~png~~\|~~left~~\|~~200px~~]]	+	==STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS TYPE II DEHYDROQUINASE COMPLEXED WITH (1R,4S,5R)-3-(BENZO(B) THIOPHEN-5-YLMETHOXY)-2-(BENZO(B)THIOPHEN-5-YLMETHYL)-1,4, 5-TRIHYDROXYCYCLOHEX-2-ENECARBOXYLATE==
		+	<StructureSection load='2y76' size='340' side='right' caption='[[2y76]], [[Resolution\|resolution]] 2.50Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[2y76]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Y76 OCA]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CB7:(1R,4S,5R)-3-(BENZO[B]THIOPHEN-5-YL)METHOXY-2-(BENZO[B]THIOPHEN-5-YL)METHYL-1,4,5-TRIHYDROXYCYCLOHEX-2-ENE-1-CARBOXYLATE'>CB7</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1h0r\|1h0r]], [[2y71\|2y71]], [[2xb8\|2xb8]], [[1h05\|1h05]], [[1h0s\|1h0s]], [[2dhq\|2dhq]], [[2y77\|2y77]]</td></tr>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </span></td></tr>
		+	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2y76 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2y76 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2y76 RCSB], [http://www.ebi.ac.uk/pdbsum/2y76 PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The synthesis of high-affinity reversible competitive inhibitors of Mycobacterium tuberculosis type II dehydroquinase, an essential enzyme in Mycobacterium tuberculosis bacteria, is reported. The inhibitors reported here are mimics of the enol intermediate and the effect of substitution on C2 was studied. The crystal structures of Mycobacterium tuberculosis type II dehydroquinase in complex with three of the reported inhibitors are also described. The results show that an aromatic substituent on C2 prevents the closure of the active site by impeding the hydrogen-bonding interaction of Arg108 with the essential Tyr24 of the flexible loop, the residue that initiates catalysis. Chemical modifications of the reported acids were also carried out to improve internalization into Mycobacterium tuberculosis through an ester prodrug approach. Propyl esters proved to be the most efficient in achieving optimal in vitro activities.

-	<!--	+	A Prodrug Approach for Improving Antituberculosis Activity of Potent Mycobacterium tuberculosis Type II Dehydroquinase Inhibitors.,Tizon L, Otero JM, Prazeres VF, Llamas-Saiz AL, Fox GC, van Raaij MJ, Lamb H, Hawkins AR, Ainsa JA, Castedo L, Gonzalez-Bello C J Med Chem. 2011 Aug 3. PMID:21780742<ref>PMID:21780742</ref>
-	~~The line below this paragraph~~, ~~containing "STRUCTURE_2y76"~~, ~~creates the "Structure Box" on the page.~~	+
-	~~You may change the PDB parameter (which sets the PDB file loaded into the applet)~~	+
-	~~or the SCENE parameter (which sets the initial scene displayed when the page is loaded)~~,	+
-	~~or leave the SCENE parameter empty for the default display.~~	+
-	-->	+
-	~~{{STRUCTURE_2y76\| PDB=2y76 \| SCENE= }}~~	+

-	~~===STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS TYPE II DEHYDROQUINASE COMPLEXED WITH (1R~~,~~4S,5R)-3-(BENZO(B) THIOPHEN-5-YLMETHOXY)-2-(BENZO(B)THIOPHEN-5-YLMETHYL)-1,4, 5-TRIHYDROXYCYCLOHEX-2-ENECARBOXYLATE===~~	+	From MEDLINEÂ®/PubMedÂ®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-		+	== References ==
-	~~<!--~~	+	<references/>
-	~~The line below this paragraph, {{ABSTRACT_PUBMED_21780742}}, adds~~ the ~~Publication Abstract to the page~~	+	__TOC__
-	~~(as it appears on PubMed at http://www~~.~~pubmed~~.~~gov), where 21780742 is the PubMed ID number~~.	+	</StructureSection>
-	-->	+
-	~~{{ABSTRACT_PUBMED_21780742}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[2y76]] is a 1 chain structure with sequence from [http:~~/~~/en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Y76 OCA].~~	+
-		+
-	==~~Reference~~==	+
-	<~~ref group="xtra">PMID:021780742<~~/~~ref~~><~~references group="xtra"~~/>	+
	[[Category: 3-dehydroquinate dehydratase]]		[[Category: 3-dehydroquinate dehydratase]]
	[[Category: Mycobacterium tuberculosis]]		[[Category: Mycobacterium tuberculosis]]

OCA at 07:42, 2 November 2011

OCA — Wed, 02 Nov 2011 07:42:21 GMT

←Older revision		Revision as of 07:42, 2 November 2011
Line 1:		Line 1:
-	[[Image:2y76.~~jpg~~\|left\|200px]]	+	[[Image:2y76.png\|left\|200px]]

	<!--		<!--

OCA at 06:18, 17 August 2011

OCA — Wed, 17 Aug 2011 06:18:46 GMT

←Older revision		Revision as of 06:18, 17 August 2011
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:2y76.jpg\|left\|200px]]

-	The ~~entry 2y76~~ is ~~ON HOLD~~ ~~until Paper Publication~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_2y76", creates the "Structure Box" on the page.
		+	You may change the PDB parameter (which sets the PDB file loaded into the applet)
		+	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
		+	or leave the SCENE parameter empty for the default display.
		+	-->
		+	{{STRUCTURE_2y76\| PDB=2y76 \| SCENE= }}

-	~~Authors: Otero~~, ~~J.M.~~, ~~Llamas~~-~~Saiz~~, ~~A.L.~~, ~~Fox, G.C., Tizon, L., Prazeres, V.F.V., Lamb, H., Hawkins, A.R., Ainsa, J., Castedo, L., Gonzalez~~-~~Bello, C., van Raaij, M.J.~~	+	===STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS TYPE II DEHYDROQUINASE COMPLEXED WITH (1R,4S,5R)-3-(BENZO(B) THIOPHEN-5-YLMETHOXY)-2-(BENZO(B)THIOPHEN-5-YLMETHYL)-1,4, 5-TRIHYDROXYCYCLOHEX-2-ENECARBOXYLATE===

-	~~Description: Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)~~-3-(~~benzo(b~~)~~thiophen~~-5-~~ylmethoxy)~~-2-~~(benzo(b) thiophen-5~~-~~ylmethyl)-1~~,4,5-~~trihydroxycyclohex-2-enecarboxylate~~	+
		+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_21780742}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 21780742 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_21780742}}
		+
		+	==About this Structure==
		+	[[2y76]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Y76 OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:021780742</ref><references group="xtra"/>
		+	[[Category: 3-dehydroquinate dehydratase]]
		+	[[Category: Mycobacterium tuberculosis]]
		+	[[Category: Ainsa, J A.]]
		+	[[Category: Castedo, L.]]
		+	[[Category: Fox, G C.]]
		+	[[Category: Gonzalez-Bello, C.]]
		+	[[Category: Hawkins, A R.]]
		+	[[Category: Lamb, H.]]
		+	[[Category: Llamas-Saiz, A L.]]
		+	[[Category: Otero, J M.]]
		+	[[Category: Prazeres, V F.V.]]
		+	[[Category: Raaij, M J.Van.]]
		+	[[Category: Tizon, L.]]
		+	[[Category: Amino acid biosynthesis]]
		+	[[Category: Lyase]]

OCA: Protected "2y76" [edit=sysop:move=sysop]

OCA — Wed, 09 Feb 2011 05:40:01 GMT

Protected "2y76" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:40, 9 February 2011