4bfv - Revision history

OCA at 11:50, 20 December 2023

OCA — Wed, 20 Dec 2023 11:50:31 GMT

←Older revision		Revision as of 11:50, 20 December 2023
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	<StructureSection load='4bfv' size='340' side='right'caption='[[4bfv]], [[Resolution\|resolution]] 2.29Å' scene=''>		<StructureSection load='4bfv' size='340' side='right'caption='[[4bfv]], [[Resolution\|resolution]] 2.29Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4bfv]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Myctu Myctu~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BFV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BFV FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4bfv]] is a 2 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=4BFV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BFV FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=ZVV:N-[1-(4-METHYL-5-{[2-(2-METHYLPHENOXY)ETHYL]SULFANYL}-4H-1,2,4-TRIAZOL-3-YL)ETHYL]-2-(TRIFLUOROMETHYL)BENZAMIDE'>ZVV</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]] 2.29Å</td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[4bfs\|4bfs]], [[4bft\|4bft]], [[4bfu\|4bfu]], [[4bfw\|4bfw]], [[4bfx\|4bfx]], [[4bfy\|4bfy]], [[4bfz\|4bfz]]</div></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=ZVV:N-[1-(4-METHYL-5-{[2-(2-METHYLPHENOXY)ETHYL]SULFANYL}-4H-1,2,4-TRIAZOL-3-YL)ETHYL]-2-(TRIFLUOROMETHYL)BENZAMIDE'>ZVV</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Pantothenate_kinase Pantothenate kinase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.33 2.7.1.33] </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=4bfv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bfv OCA], [https://pdbe.org/4bfv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bfv RCSB], [https://www.ebi.ac.uk/pdbsum/4bfv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bfv 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=4bfv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bfv OCA], [https://pdbe.org/4bfv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bfv RCSB], [https://www.ebi.ac.uk/pdbsum/4bfv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bfv ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/COAA_MYCTU COAA_MYCTU]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 26:		Line 27:
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Myctu]]~~	+	[[Category: Mycobacterium tuberculosis H37Rv]]
-	~~[[Category: Pantothenate kinase~~]]	+	[[Category: Bergfors T]]
-	[[Category: Bergfors, T]]	+	[[Category: Bjorkelid C]]
-	[[Category: Bjorkelid, C]]	+	[[Category: Jones TA]]
-	[[Category: Jones~~, T A]]~~	+
-	~~[[Category: Coa pathway]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 07:12, 31 August 2022

OCA — Wed, 31 Aug 2022 07:12:14 GMT

←Older revision		Revision as of 07:12, 31 August 2022
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	<StructureSection load='4bfv' size='340' side='right'caption='[[4bfv]], [[Resolution\|resolution]] 2.29Å' scene=''>		<StructureSection load='4bfv' size='340' side='right'caption='[[4bfv]], [[Resolution\|resolution]] 2.29Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4bfv]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Myctu Myctu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BFV OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4BFV FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4bfv]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Myctu Myctu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BFV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BFV FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=ZVV:N-[1-(4-METHYL-5-{[2-(2-METHYLPHENOXY)ETHYL]SULFANYL}-4H-1,2,4-TRIAZOL-3-YL)ETHYL]-2-(TRIFLUOROMETHYL)BENZAMIDE'>ZVV</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=ZVV:N-[1-(4-METHYL-5-{[2-(2-METHYLPHENOXY)ETHYL]SULFANYL}-4H-1,2,4-TRIAZOL-3-YL)ETHYL]-2-(TRIFLUOROMETHYL)BENZAMIDE'>ZVV</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bfs\|4bfs]], [[4bft\|4bft]], [[4bfu\|4bfu]], [[4bfw\|4bfw]], [[4bfx\|4bfx]], [[4bfy\|4bfy]], [[4bfz\|4bfz]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[4bfs\|4bfs]], [[4bft\|4bft]], [[4bfu\|4bfu]], [[4bfw\|4bfw]], [[4bfx\|4bfx]], [[4bfy\|4bfy]], [[4bfz\|4bfz]]</div></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Pantothenate_kinase Pantothenate kinase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.33 2.7.1.33] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Pantothenate_kinase Pantothenate kinase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.33 2.7.1.33] </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=4bfv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bfv OCA], [~~http~~://pdbe.org/4bfv PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4bfv RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4bfv PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4bfv 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=4bfv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bfv OCA], [https://pdbe.org/4bfv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bfv RCSB], [https://www.ebi.ac.uk/pdbsum/4bfv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bfv ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 20:		Line 20:

	==See Also==		==See Also==
-	*[[Pantothenate kinase\|Pantothenate kinase]]	+	*[[Pantothenate kinase 3D structures\|Pantothenate kinase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 07:58, 21 May 2019

OCA — Tue, 21 May 2019 07:58:07 GMT

←Older revision		Revision as of 07:58, 21 May 2019
Line 1:		Line 1:

	==Crystal structure of Mycobacterium tuberculosis PanK in complex with a triazole inhibitory compound (1d) and phosphate==		==Crystal structure of Mycobacterium tuberculosis PanK in complex with a triazole inhibitory compound (1d) and phosphate==
-	<StructureSection load='4bfv' size='340' side='right' caption='[[4bfv]], [[Resolution\|resolution]] 2.29Å' scene=''>	+	<StructureSection load='4bfv' size='340' side='right'caption='[[4bfv]], [[Resolution\|resolution]] 2.29Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4bfv]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Myctu Myctu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BFV OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BFV FirstGlance]. <br>		<table><tr><td colspan='2'>[[4bfv]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Myctu Myctu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BFV OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BFV FirstGlance]. <br>
Line 25:		Line 25:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Myctu]]		[[Category: Myctu]]
	[[Category: Pantothenate kinase]]		[[Category: Pantothenate kinase]]

OCA at 08:06, 6 March 2019

OCA — Wed, 06 Mar 2019 08:06:15 GMT

←Older revision		Revision as of 08:06, 6 March 2019
Line 1:		Line 1:

	==Crystal structure of Mycobacterium tuberculosis PanK in complex with a triazole inhibitory compound (1d) and phosphate==		==Crystal structure of Mycobacterium tuberculosis PanK in complex with a triazole inhibitory compound (1d) and phosphate==
-	<StructureSection load='4bfv' size='340' side='right' caption='[[4bfv]], [[Resolution\|resolution]] 2.29Å' scene=''>	+	<StructureSection load='4bfv' size='340' side='right' caption='[[4bfv]], [[Resolution\|resolution]] 2.29Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4bfv]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Myctu Myctu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BFV OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BFV FirstGlance]. <br>		<table><tr><td colspan='2'>[[4bfv]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Myctu Myctu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BFV OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BFV FirstGlance]. <br>

OCA at 09:14, 4 August 2016

OCA — Thu, 04 Aug 2016 09:14:52 GMT

←Older revision		Revision as of 09:14, 4 August 2016
Line 1:		Line 1:
		+
	==Crystal structure of Mycobacterium tuberculosis PanK in complex with a triazole inhibitory compound (1d) and phosphate==		==Crystal structure of Mycobacterium tuberculosis PanK in complex with a triazole inhibitory compound (1d) and phosphate==
	<StructureSection load='4bfv' size='340' side='right' caption='[[4bfv]], [[Resolution\|resolution]] 2.29Å' scene=''>		<StructureSection load='4bfv' size='340' side='right' caption='[[4bfv]], [[Resolution\|resolution]] 2.29Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4bfv]] is a 2 chain structure with sequence from [http://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=4BFV OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BFV FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4bfv]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Myctu Myctu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BFV OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BFV FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=ZVV:N-[1-(4-METHYL-5-{[2-(2-METHYLPHENOXY)ETHYL]SULFANYL}-4H-1,2,4-TRIAZOL-3-YL)ETHYL]-2-(TRIFLUOROMETHYL)BENZAMIDE'>ZVV</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=ZVV:N-[1-(4-METHYL-5-{[2-(2-METHYLPHENOXY)ETHYL]SULFANYL}-4H-1,2,4-TRIAZOL-3-YL)ETHYL]-2-(TRIFLUOROMETHYL)BENZAMIDE'>ZVV</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bfs\|4bfs]], [[4bft\|4bft]], [[4bfu\|4bfu]], [[4bfw\|4bfw]], [[4bfx\|4bfx]], [[4bfy\|4bfy]], [[4bfz\|4bfz]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bfs\|4bfs]], [[4bft\|4bft]], [[4bfu\|4bfu]], [[4bfw\|4bfw]], [[4bfx\|4bfx]], [[4bfy\|4bfy]], [[4bfz\|4bfz]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Pantothenate_kinase Pantothenate kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.33 2.7.1.33] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Pantothenate_kinase Pantothenate kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.33 2.7.1.33] </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=4bfv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bfv OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bfv RCSB], [http://www.ebi.ac.uk/pdbsum/4bfv 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=4bfv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bfv OCA], [http://pdbe.org/4bfv PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4bfv RCSB], [http://www.ebi.ac.uk/pdbsum/4bfv PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4bfv ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 16:		Line 17:
	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 4bfv" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 23:		Line 25:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Mycobacterium tuberculosis h37rv~~]]	+	[[Category: Myctu]]
	[[Category: Pantothenate kinase]]		[[Category: Pantothenate kinase]]
	[[Category: Bergfors, T]]		[[Category: Bergfors, T]]

OCA at 09:45, 21 December 2014

OCA — Sun, 21 Dec 2014 09:45:06 GMT

←Older revision		Revision as of 09:45, 21 December 2014
Line 1:		Line 1:
-	~~{{STRUCTURE_4bfv\| PDB=4bfv \| SCENE= }}~~	+	==Crystal structure of Mycobacterium tuberculosis PanK in complex with a triazole inhibitory compound (1d) and phosphate==
-	===Crystal structure of Mycobacterium tuberculosis PanK in complex with a triazole inhibitory compound (1d) and phosphate===	+	<StructureSection load='4bfv' size='340' side='right' caption='[[4bfv]], [[Resolution\|resolution]] 2.29Å' scene=''>
-	{~~{ABSTRACT_PUBMED_23661699}~~}	+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4bfv]] is a 2 chain structure with sequence from [http://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=4BFV OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BFV FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=ZVV:N-[1-(4-METHYL-5-{[2-(2-METHYLPHENOXY)ETHYL]SULFANYL}-4H-1,2,4-TRIAZOL-3-YL)ETHYL]-2-(TRIFLUOROMETHYL)BENZAMIDE'>ZVV</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bfs\|4bfs]], [[4bft\|4bft]], [[4bfu\|4bfu]], [[4bfw\|4bfw]], [[4bfx\|4bfx]], [[4bfy\|4bfy]], [[4bfz\|4bfz]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Pantothenate_kinase Pantothenate kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.33 2.7.1.33] </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=4bfv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bfv OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bfv RCSB], [http://www.ebi.ac.uk/pdbsum/4bfv PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Mycobacterium tuberculosis, the bacterial causative agent of tuberculosis, currently affects millions of people. The emergence of drug resistant strains makes development of new antibiotics targeting the bacterium a global health priority. Pantothenate kinase, a key enzyme in the universal biosynthesis of the essential cofactor Coenzyme A, was targeted in this study to find new tuberculosis drugs. The biochemical characterization of two new classes of compounds that inhibit pantothenate kinase from Mycobacterium tuberculosis are described, along with crystal structures of their enzyme-inhibitor complexes. These represent the first crystal structures of this enzyme with engineered inhibitors. Both classes of compounds bind in the active site of the enzyme, overlapping with the binding sites of the natural substrate and product, pantothenate and phosphopantothenate, respectively. One class of compounds also interferes with binding of the cofactor ATP. The complexes were crystallized in two crystal forms, one of which is in a new space group for this enzyme and diffracts to the highest resolution reported for any pantothenate kinase structure. These two crystal forms allowed, for the first time, modelling of the cofactor-binding loop in both open and closed conformations. The structures also show a binding-mode of ATP different from that previously reported for the Mycobacterium tuberculosis enzyme, but similar to that in the pantothenate kinases of other organisms.

-	~~==About this Structure==~~	+	Structural and Biochemical Characterization of Compounds Inhibiting Mycobacterium tuberculosis PanK.,Bjorkelid C, Bergfors T, Raichurkar AK, Mukherjee K, Malolanarasimhan K, Bandodkar B, Jones TA J Biol Chem. 2013 May 10. PMID:23661699<ref>PMID:23661699</ref>
-	~~[[4bfv]] is a 2 chain structure with sequence from [http://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=4BFV OCA].~~	+

-	==~~Reference~~==	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~<ref group~~=~~"xtra">PMID:023661699</ref>~~<references ~~group="xtra"~~/><~~references~~/>	+	</div>
		+
		+	==See Also==
		+	*[[Pantothenate kinase\|Pantothenate kinase]]
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Mycobacterium tuberculosis h37rv]]		[[Category: Mycobacterium tuberculosis h37rv]]
	[[Category: Pantothenate kinase]]		[[Category: Pantothenate kinase]]
-	[[Category: Bergfors, T.]]	+	[[Category: Bergfors, T]]
-	[[Category: Bjorkelid, C.]]	+	[[Category: Bjorkelid, C]]
-	[[Category: Jones, T A.]]	+	[[Category: Jones, T A]]
	[[Category: Coa pathway]]		[[Category: Coa pathway]]
	[[Category: Inhibitor]]		[[Category: Inhibitor]]
	[[Category: Transferase]]		[[Category: Transferase]]

OCA at 15:52, 19 June 2013

OCA — Wed, 19 Jun 2013 15:52:50 GMT

←Older revision		Revision as of 15:52, 19 June 2013
Line 1:		Line 1:
	{{STRUCTURE_4bfv\| PDB=4bfv \| SCENE= }}		{{STRUCTURE_4bfv\| PDB=4bfv \| SCENE= }}
	===Crystal structure of Mycobacterium tuberculosis PanK in complex with a triazole inhibitory compound (1d) and phosphate===		===Crystal structure of Mycobacterium tuberculosis PanK in complex with a triazole inhibitory compound (1d) and phosphate===
		+	{{ABSTRACT_PUBMED_23661699}}

	==About this Structure==		==About this Structure==
	[[4bfv]] is a 2 chain structure with sequence from [http://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=4BFV OCA].		[[4bfv]] is a 2 chain structure with sequence from [http://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=4BFV OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:023661699</ref><references group="xtra"/><references/>
	[[Category: Mycobacterium tuberculosis h37rv]]		[[Category: Mycobacterium tuberculosis h37rv]]
	[[Category: Pantothenate kinase]]		[[Category: Pantothenate kinase]]

OCA at 07:27, 16 May 2013

OCA — Thu, 16 May 2013 07:27:40 GMT

←Older revision		Revision as of 07:27, 16 May 2013
Line 1:		Line 1:
-	~~'''Unreleased~~ structure~~'''~~	+	{{STRUCTURE_4bfv\| PDB=4bfv \| SCENE= }}
		+	===Crystal structure of Mycobacterium tuberculosis PanK in complex with a triazole inhibitory compound (1d) and phosphate===

-	~~The entry~~ 4bfv is ~~ON HOLD until Paper Publication~~	+	==About this Structure==
-		+	[[4bfv]] is a 2 chain structure with sequence from [http://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=4BFV OCA].
-	~~Authors~~: ~~Bjorkelid, C.,~~ Bergfors, T., Jones, T.A.	+	[[Category: Mycobacterium tuberculosis h37rv]]
-		+	[[Category: Pantothenate kinase]]
-	~~Description~~: ~~Crystal structure of Mycobacterium tuberculosis PanK in complex with a triazole inhibitory compound (1d) and phosphate~~	+	[[Category: Bergfors, T.]]
		+	[[Category: Bjorkelid, C.]]
		+	[[Category: Jones, T A.]]
		+	[[Category: Coa pathway]]
		+	[[Category: Inhibitor]]
		+	[[Category: Transferase]]

OCA at 00:37, 4 April 2013

OCA — Thu, 04 Apr 2013 00:37:26 GMT

←Older revision		Revision as of 00:37, 4 April 2013
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4bfv is ON HOLD until ~~sometime in the future~~	+	The entry 4bfv is ON HOLD until Paper Publication

	Authors: Bjorkelid, C., Bergfors, T., Jones, T.A.		Authors: Bjorkelid, C., Bergfors, T., Jones, T.A.

	Description: Crystal structure of Mycobacterium tuberculosis PanK in complex with a triazole inhibitory compound (1d) and phosphate		Description: Crystal structure of Mycobacterium tuberculosis PanK in complex with a triazole inhibitory compound (1d) and phosphate

OCA: Protected "4bfv" [edit=sysop:move=sysop]

OCA — Wed, 27 Mar 2013 08:06:08 GMT

Protected "4bfv" [edit=sysop:move=sysop]

←Older revision

Revision as of 08:06, 27 March 2013