5w6o - Revision history

OCA at 17:30, 11 December 2019

OCA — Wed, 11 Dec 2019 17:30:23 GMT

←Older revision		Revision as of 17:30, 11 December 2019
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	==Choline Kinase Alpha in Complex with TCD-717==		==Choline Kinase Alpha in Complex with TCD-717==
-	<StructureSection load='5w6o' size='340' side='right' caption='[[5w6o]], [[Resolution\|resolution]] 2.35Å' scene=''>	+	<StructureSection load='5w6o' size='340' side='right'caption='[[5w6o]], [[Resolution\|resolution]] 2.35Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5w6o]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5W6O OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5W6O FirstGlance]. <br>		<table><tr><td colspan='2'>[[5w6o]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5W6O OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5W6O FirstGlance]. <br>
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	</div>		</div>
	<div class="pdbe-citations 5w6o" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5w6o" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Choline kinase 3D structures\|Choline kinase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
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	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Kall, S K]]		[[Category: Kall, S K]]
	[[Category: Lavie, A]]		[[Category: Lavie, A]]

OCA at 06:13, 8 March 2018

OCA — Thu, 08 Mar 2018 06:13:46 GMT

←Older revision		Revision as of 06:13, 8 March 2018
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	<StructureSection load='5w6o' size='340' side='right' caption='[[5w6o]], [[Resolution\|resolution]] 2.35Å' scene=''>		<StructureSection load='5w6o' size='340' side='right' caption='[[5w6o]], [[Resolution\|resolution]] 2.35Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5w6o]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5W6O OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5W6O FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5w6o]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5W6O OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5W6O FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=9X1:1,1-[[1,1-biphenyl]-4,4-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium}'>9X1</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=9X1:1,1-[[1,1-biphenyl]-4,4-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium}'>9X1</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CHKA, CHK, CKI ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=5w6o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5w6o OCA], [http://pdbe.org/5w6o PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5w6o RCSB], [http://www.ebi.ac.uk/pdbsum/5w6o PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5w6o 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=5w6o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5w6o OCA], [http://pdbe.org/5w6o PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5w6o RCSB], [http://www.ebi.ac.uk/pdbsum/5w6o PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5w6o ProSAT]</span></td></tr>
	</table>		</table>
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
	[[Category: Kall, S K]]		[[Category: Kall, S K]]
	[[Category: Lavie, A]]		[[Category: Lavie, A]]

OCA at 06:28, 15 February 2018

OCA — Thu, 15 Feb 2018 06:28:54 GMT

←Older revision		Revision as of 06:28, 15 February 2018
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-	'''Unreleased structure'''

-	~~The entry~~ 5w6o is ~~ON HOLD~~ ~~until Paper~~ Publication	+	==Choline Kinase Alpha in Complex with TCD-717==
		+	<StructureSection load='5w6o' size='340' side='right' caption='[[5w6o]], [[Resolution\|resolution]] 2.35Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5w6o]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5W6O OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5W6O FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=9X1:1,1-[[1,1-biphenyl]-4,4-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium}'>9X1</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene></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=5w6o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5w6o OCA], [http://pdbe.org/5w6o PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5w6o RCSB], [http://www.ebi.ac.uk/pdbsum/5w6o PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5w6o ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/CHKA_HUMAN CHKA_HUMAN]] Has a key role in phospholipid biosynthesis and may contribute to tumor cell growth. Catalyzes the first step in phosphatidylcholine biosynthesis. Contributes to phosphatidylethanolamine biosynthesis. Phosphorylates choline and ethanolamine. Has higher activity with choline.<ref>PMID:19915674</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Choline kinase alpha (ChoKalpha) is an enzyme that is upregulated in many types of cancer and has been shown to be tumorigenic. As such, it makes a promising target for inhibiting tumor growth. Though there have been several inhibitors synthesized for ChoKalpha, not all of them demonstrate the same efficacy in vivo, though the reasons behind this difference in potency are not clear. One particular inhibitor, designated TCD-717, has recently completed phase I clinical trials. Cell culture and in vitro studies support the powerful inhibitory effect TCD-717 has on ChoKalpha, but an examination of the inhibitor's interaction with the ChoKalpha enzyme has been missing prior to this work. Here we detail the 2.35 A structure of ChoKalpha in complex with TCD-717. Examination of this structure in conjunction with kinetic assays reveals that TCD-717 does not bind directly in the choline pocket as do previously characterized ChoKalpha inhibitors, but rather in a proximal but novel location near the surface of the enzyme. The unique binding site identified for TCD-717 lends insight for the future design of more potent in vivo inhibitors for ChoKalpha.

-	~~Authors:~~ Kall, ~~S.K.~~, Lavie, A.	+	Identification of a Unique Inhibitor-Binding Site on Choline Kinase alpha.,Kall SL, Delikatny EJ, Lavie A Biochemistry. 2018 Feb 8. doi: 10.1021/acs.biochem.7b01257. PMID:29389115<ref>PMID:29389115</ref>

-	~~Description: Choline Kinase Alpha in Complex with TCD-717~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category~~: ~~Unreleased Structures]]~~	+	</div>
-	[[Category: Kall, S.K]]	+	<div class="pdbe-citations 5w6o" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Kall, S K]]
	[[Category: Lavie, A]]		[[Category: Lavie, A]]
		+	[[Category: Drug]]
		+	[[Category: Enzyme]]
		+	[[Category: Inhibitor]]
		+	[[Category: Transferase-inhibitor complex]]

OCA: Protected "5w6o" [edit=sysop:move=sysop]

OCA — Wed, 27 Sep 2017 14:30:21 GMT

Protected "5w6o" [edit=sysop:move=sysop]

←Older revision

Revision as of 14:30, 27 September 2017

OCA: New page: '''Unreleased structure''' The entry 5w6o is ON HOLD until Paper Publication Authors: Kall, S.K., Lavie, A. Description: Choline Kinase Alpha in Complex with TCD-717 [[Category: Unrele...

OCA — Wed, 27 Sep 2017 14:30:19 GMT

New page: '''Unreleased structure''' The entry 5w6o is ON HOLD until Paper Publication Authors: Kall, S.K., Lavie, A. Description: Choline Kinase Alpha in Complex with TCD-717 [[Category: Unrele...

New page

'''Unreleased structure'''

The entry 5w6o is ON HOLD until Paper Publication

Authors: Kall, S.K., Lavie, A.

Description: Choline Kinase Alpha in Complex with TCD-717
[[Category: Unreleased Structures]]
[[Category: Kall, S.K]]
[[Category: Lavie, A]]