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2k62

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NMR solution structure of the supramolecular adduct between a liver cytosolic bile acid binding protein and a bile acid-based Gd(III)-chelate

Structural highlights

2k62 is a 1 chain structure with sequence from Gallus gallus. Full experimental information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:	Solution NMR
Ligands:	,
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

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

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

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.

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^[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ Tomaselli S, Zanzoni S, Ragona L, Gianolio E, Aime S, Assfalg M, Molinari H. 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. J Med Chem. 2008 Oct 22. PMID:18939814 doi:10.1021/jm800820b

1 Structural highlights
2 Function
3 Evolutionary Conservation
4 Publication Abstract from PubMed
5 See Also
6 References

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/2k62"

@@ Line 1: / Line 1: @@
 ==NMR solution structure of the supramolecular adduct between a liver cytosolic bile acid binding protein and a bile acid-based Gd(III)-chelate==
-<StructureSection load='2k62' size='340' side='right'caption='[[2k62]], [[NMR_Ensembles_of_Models | 7 NMR models]]' scene=''>
+<StructureSection load='2k62' size='340' side='right'caption='[[2k62]]' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[2k62]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Chick Chick]. 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>
+<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>
-</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>
+</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='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2jn3|2jn3]]</div></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>
-<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">FABP1 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9031 CHICK])</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=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.
+[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]]
@@ Line 37: / Line 36: @@
 __TOC__
 </StructureSection>
-[[Category: Chick]]
+[[Category: Gallus gallus]]
 [[Category: Large Structures]]
-[[Category: Aime, S]]
+[[Category: Aime S]]
-[[Category: Assfalg, M]]
+[[Category: Assfalg M]]
-[[Category: Gianolio, E]]
+[[Category: Gianolio E]]
-[[Category: Molinari, H]]
+[[Category: Molinari H]]
-[[Category: Ragona, L]]
+[[Category: Ragona L]]
-[[Category: Tomaselli, S]]
+[[Category: Tomaselli S]]
-[[Category: Zanzoni, S]]
+[[Category: Zanzoni S]]
-[[Category: Acetylation]]
-[[Category: Cytoplasm]]
-[[Category: Haddock]]
-[[Category: Hepatospecific contrast agent]]
-[[Category: Lipid binding protein]]
-[[Category: Lipid-binding]]
-[[Category: Transport]]

2k62

From Proteopedia

Current revision

NMR solution structure of the supramolecular adduct between a liver cytosolic bile acid binding protein and a bile acid-based Gd(III)-chelate

Structural highlights

Function

Evolutionary Conservation

Publication Abstract from PubMed

See Also

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

Views

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