2k62: Difference between revisions

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-{{Seed}}
-[[Image:2k62.png|left|200px]]
-<!--
+==NMR solution structure of the supramolecular adduct between a liver cytosolic bile acid binding protein and a bile acid-based Gd(III)-chelate==
-The line below this paragraph, containing "STRUCTURE_2k62", creates the "Structure Box" on the page.
+<StructureSection load='2k62' size='340' side='right'caption='[[2k62]]' scene=''>
-You may change the PDB parameter (which sets the PDB file loaded into the applet)
+== Structural highlights ==
-or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
+<table><tr><td colspan='2'>[[2k62]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Gallus_gallus Gallus gallus]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2K62 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2K62 FirstGlance]. <br>
-or leave the SCENE parameter empty for the default display.
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Solution NMR</td></tr>
--->
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ITL:(3ALPHA,5ALPHA,8ALPHA)-3-[(N,N-BIS{2-[BIS(CARBOXYMETHYL)AMINO]ETHYL}-L-GAMMA-GLUTAMYL)AMINO]CHOLAN-24-OIC+ACID'>ITL</scene>, <scene name='pdbligand=YB:YTTERBIUM+(III)+ION'>YB</scene></td></tr>
-{{STRUCTURE_2k62|  PDB=2k62  |  SCENE=  }}
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2k62 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2k62 OCA], [https://pdbe.org/2k62 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2k62 RCSB], [https://www.ebi.ac.uk/pdbsum/2k62 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2k62 ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/FABPL_CHICK FABPL_CHICK] Binds free fatty acids and their coenzyme A derivatives, bilirubin, and some other small molecules in the cytoplasm. May be involved in intracellular lipid transport. Binds 2 molecules of cholate per subunit.
+== Evolutionary Conservation ==
+[[Image:Consurf_key_small.gif|200px|right]]
+Check<jmol>
+  <jmolCheckbox>
+    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/k6/2k62_consurf.spt"</scriptWhenChecked>
+    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
+    <text>to colour the structure by Evolutionary Conservation</text>
+  </jmolCheckbox>
+</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2k62 ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Bile acid-conjugated gadolinium chelates were shown to display promising features for the development of hepatospecific constrast agents for magnetic resonance imaging (MRI). The study of the pharmacokinetics of these compounds should address their possible interaction with the bile acid protein transporters. We have previously shown that a 5beta-cholanoic acid-based contrast agent is efficiently internalized in hepatocytes and is able to bind to a liver bile acid binding protein (BABP) in vitro. Here we report the solution structure of the adduct between a BABP and a gadolinium chelate/bile acid conjugate. The identification of unambiguous intermolecular distance restraints was possible through 3D edited/filtered NOESY-HSQC experiments, together with distance information derived from paramagnetic relaxation enhancements. These intermolecular contacts were used for the structure determination of the complex, using the data-driven docking software HADDOCK. The obtained results represent the starting point for the design of new and more efficient MRI contrast agents.
-===NMR solution structure of the supramolecular adduct between a liver cytosolic bile acid binding protein and a bile acid-based Gd(III)-chelate===
+Solution Structure of the Supramolecular Adduct between a Liver Cytosolic Bile Acid Binding Protein and a Bile Acid-Based Gadolinium(III)-Chelate, a Potential Hepatospecific Magnetic Resonance Imaging Contrast Agent.,Tomaselli S, Zanzoni S, Ragona L, Gianolio E, Aime S, Assfalg M, Molinari H J Med Chem. 2008 Oct 22. PMID:18939814<ref>PMID:18939814</ref>
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
+<div class="pdbe-citations 2k62" style="background-color:#fffaf0;"></div>
-<!--
+==See Also==
-The line below this paragraph, {{ABSTRACT_PUBMED_18939814}}, adds the Publication Abstract to the page
+*[[Fatty acid-binding protein 3D structures|Fatty acid-binding protein 3D structures]]
-(as it appears on PubMed at http://www.pubmed.gov), where 18939814 is the PubMed ID number.
+== References ==
--->
+<references/>
-{{ABSTRACT_PUBMED_18939814}}
+__TOC__
+</StructureSection>
-==About this Structure==
-K62 is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Gallus_gallus Gallus gallus]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2K62 OCA].
-==Reference==
-<ref group="xtra">PMID:18939814</ref><references group="xtra"/>
 [[Category: Gallus gallus]]
-[[Category: Aime, S.]]
+[[Category: Large Structures]]
-[[Category: Assfalg, M.]]
+[[Category: Aime S]]
-[[Category: Gianolio, E.]]
+[[Category: Assfalg M]]
-[[Category: Molinari, H.]]
+[[Category: Gianolio E]]
-[[Category: Ragona, L.]]
+[[Category: Molinari H]]
-[[Category: Tomaselli, S.]]
+[[Category: Ragona L]]
-[[Category: Zanzoni, S.]]
+[[Category: Tomaselli S]]
-[[Category: Acetylation]]
+[[Category: Zanzoni S]]
-[[Category: Cytoplasm]]
-[[Category: Haddock]]
-[[Category: Hepatospecific contrast agent]]
-[[Category: Lipid binding protein]]
-[[Category: Lipid-binding]]
-[[Category: Transport]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Feb 18 01:49:21 2009''