1o1v

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(New page: 200px<br /> <applet load="1o1v" size="450" color="white" frame="true" align="right" spinBox="true" caption="1o1v" /> '''Human Ileal Lipid-Binding Protein (ILBP) in...)
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'''Human Ileal Lipid-Binding Protein (ILBP) in Complex with Cholyltaurine'''<br />
'''Human Ileal Lipid-Binding Protein (ILBP) in Complex with Cholyltaurine'''<br />
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==About this Structure==
==About this Structure==
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1O1V is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with TCH as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1O1V OCA].
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1O1V is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=TCH:'>TCH</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1O1V OCA].
==Reference==
==Reference==
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[[Category: beta clam structure]]
[[Category: beta clam structure]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Nov 12 18:28:22 2007''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri Feb 15 16:31:55 2008''

Revision as of 14:31, 15 February 2008


1o1v

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Human Ileal Lipid-Binding Protein (ILBP) in Complex with Cholyltaurine

Overview

Bile acids are generated in vivo from cholesterol in the liver, and they, undergo an enterohepatic circulation involving the small intestine, liver, and kidney. To understand the molecular mechanism of this transportation, it is essential to gain insight into the three-dimensional (3D) structures, of proteins involved in the bile acid recycling in free and complexed form, and to compare them with homologous members of this protein family. Here, we report the solution structure of the human ileal lipid-binding protein, (ILBP) in free form and in complex with cholyltaurine. Both structures are, compared with a previously published structure of the porcine, ILBP-cholylglycine complex and with related lipid-binding proteins., Protein structures were determined in solution by using two-dimensional, (2D)- and 3D-homo and heteronuclear NMR techniques, leading to an almost, complete resonance assignment and a significant number of distance, constraints for distance geometry and restrained molecular dynamics, simulations. The identification of several intermolecular distance, constraints unambiguously determines the cholyltaurine-binding site. The, bile acid is deeply buried within ILBP with its flexible side-chain, situated close to the fatty acid portal as entry region into the inner, ILBP core. This binding mode differs significantly from the orientation of, cholylglycine in porcine ILBP. A detailed analysis using the GRID/CPCA, strategy reveals differences in favorable interactions between, protein-binding sites and potential ligands. This characterization will, allow for the rational design of potential inhibitors for this relevant, system.

About this Structure

1O1V is a Single protein structure of sequence from Homo sapiens with as ligand. Full crystallographic information is available from OCA.

Reference

Insights into the bile acid transportation system: the human ileal lipid-binding protein-cholyltaurine complex and its comparison with homologous structures., Kurz M, Brachvogel V, Matter H, Stengelin S, Thuring H, Kramer W, Proteins. 2003 Feb 1;50(2):312-28. PMID:12486725

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