OCA at 05:56, 20 June 2018

2018-06-20T05:56:29Z

←Older revision		Revision as of 05:56, 20 June 2018
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-	'''Unreleased structure'''

-	~~The entry~~ 6gf9 is ~~ON HOLD until Paper~~ Publication	+	==Thermodynamic, Crystallographic and Computational Studies of Non Mammalian Fatty Acid Binding to Bovine b-Lactoglobulin==
		+	<StructureSection load='6gf9' size='340' side='right' caption='[[6gf9]], [[Resolution\|resolution]] 2.10Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6gf9]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6GF9 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6GF9 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=X90:heptadecanoic+acid'>X90</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=6gf9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6gf9 OCA], [http://pdbe.org/6gf9 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6gf9 RCSB], [http://www.ebi.ac.uk/pdbsum/6gf9 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6gf9 ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/LACB_BOVIN LACB_BOVIN]] Primary component of whey, it binds retinol and is probably involved in the transport of that molecule.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The milk protein beta-lactoglobulin has been widely studied since its discovery, both as a purified protein and in mixtures with other milk proteins, where its effect on the processing properties is of importance to the dairy industry. The protein can bind a variety of small hydrophobic molecules, which may allow its use as an oral delivery vehicle. In the present study we have examined the binding of odd-numbered fatty acids by isothermal calorimetry (ITC), X-ray crystallography and computer modelling to provide a clearer picture of the extent and variability of the central binding pocket. The Kd values for the fatty acids C13, C15, C16, C17 and C19 as determined by ITC are 1.93, 2.91, 3.05, 4.11 and 8.67x10(-7)M, respectively. The molecular structures revealed the ligands bound in the central cavity with generally well ordered lipophilic tails but significant positional variation at the carboxyl group end. In silico docking analyses identified the lipophilic interactions within the central cavity as the main driving force for binding with electrostatic interactions and H-bonds playing a minor role.

-	~~Authors: Kontopidis~~, G., Rovoli, M.	+	Thermodynamic, crystallographic and computational studies of non-mammalian fatty acid binding to bovine beta-Lactoglobulin.,Rovoli M, Thireou T, Choiset Y, Haertle T, Sawyer L, Eliopoulos E, Kontopidis G Int J Biol Macromol. 2018 Jun 4. pii: S0141-8130(18)30491-4. doi:, 10.1016/j.ijbiomac.2018.05.226. PMID:29879410<ref>PMID:29879410</ref>

-	~~Description: Thermodynamic~~, ~~Crystallographic and Computational Studies~~ of ~~Non Mammalian Fatty Acid Binding to Bovine b~~-~~Lactoglobulin~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
		+	<div class="pdbe-citations 6gf9" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Bos taurus]]
	[[Category: Kontopidis, G]]		[[Category: Kontopidis, G]]
	[[Category: Rovoli, M]]		[[Category: Rovoli, M]]
		+	[[Category: Fatty acid]]
		+	[[Category: Lactoglobulin]]
		+	[[Category: Non-mammalian]]
		+	[[Category: Transport protein]]

OCA: Protected "6gf9" [edit=sysop:move=sysop]

2018-05-09T05:05:08Z

Protected "6gf9" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:05, 9 May 2018

OCA: New page: '''Unreleased structure''' The entry 6gf9 is ON HOLD until Paper Publication Authors: Kontopidis, G., Rovoli, M. Description: Thermodynamic, Crystallographic and Computational Studies ...

2018-05-09T05:05:07Z

New page: '''Unreleased structure''' The entry 6gf9 is ON HOLD until Paper Publication Authors: Kontopidis, G., Rovoli, M. Description: Thermodynamic, Crystallographic and Computational Studies ...

New page

'''Unreleased structure'''

The entry 6gf9 is ON HOLD until Paper Publication

Authors: Kontopidis, G., Rovoli, M.

Description: Thermodynamic, Crystallographic and Computational Studies of Non Mammalian Fatty Acid Binding to Bovine b-Lactoglobulin
[[Category: Unreleased Structures]]
[[Category: Kontopidis, G]]
[[Category: Rovoli, M]]

6gf9 - Revision history

OCA at 05:56, 20 June 2018

OCA: Protected "6gf9" [edit=sysop:move=sysop]

OCA: New page: '''Unreleased structure''' The entry 6gf9 is ON HOLD until Paper Publication Authors: Kontopidis, G., Rovoli, M. Description: Thermodynamic, Crystallographic and Computational Studies ...