7er3

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==Crystal structure of beta-lactoglobulin complexed with chloroquine==
==Crystal structure of beta-lactoglobulin complexed with chloroquine==
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<StructureSection load='7er3' size='340' side='right'caption='[[7er3]]' scene=''>
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<StructureSection load='7er3' size='340' side='right'caption='[[7er3]], [[Resolution|resolution]] 2.60&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7ER3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7ER3 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[7er3]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7ER3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7ER3 FirstGlance]. <br>
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</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=7er3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7er3 OCA], [https://pdbe.org/7er3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7er3 RCSB], [https://www.ebi.ac.uk/pdbsum/7er3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7er3 ProSAT]</span></td></tr>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0TX:(4S)-N~4~-(7-CHLOROQUINOLIN-4-YL)-N~1~,N~1~-DIETHYLPENTANE-1,4-DIAMINE'>0TX</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=7er3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7er3 OCA], [https://pdbe.org/7er3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7er3 RCSB], [https://www.ebi.ac.uk/pdbsum/7er3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7er3 ProSAT]</span></td></tr>
</table>
</table>
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== Function ==
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[https://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.
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Chloroquine (CQ) is a famous medicine for treatment of diseases including malaria and pneumonia caused by COVID-19, but gastrointestinal disorder caused by its oral administration is a great concern. Milk is usually recommended to be taken with CQ to reduce such effect. However, the mechanism underlying this phenomenon remains unknown. Here, we found that beta-lactoglobulin (beta-LG), alpha-lactalbumin (alpha-LA), bovine serum albumin (BSA), and lactoferrin (LF) in whey proteins were able to interact with CQ to form complexes as suggested by fluorescence resonance energy transfer (FRET) and molecular docking. Indeed, the crystal structure revealed that beta-LG is bound to CQ through hydrophobic interactions and hydrogen bonding with a ratio of 1:1. Consequently, the formation of these protein-CQ complexes not only reduced the cytotoxicity of chloroquine to the stomach and gut cells but also facilitated its uptake by cells. This work gave an example to understand the relationship between food and drug.
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Binding of Chloroquine to Whey Protein Relieves Its Cytotoxicity while Enhancing Its Uptake by Cells.,Yao Q, Xing Y, Ma J, Wang C, Zang J, Zhao G J Agric Food Chem. 2021 Sep 15;69(36):10669-10677. doi: 10.1021/acs.jafc.1c04140. , Epub 2021 Aug 31. PMID:34463093<ref>PMID:34463093</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 7er3" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Beta-lactoglobulin 3D structures|Beta-lactoglobulin 3D structures]]
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== References ==
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<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Bos taurus]]
[[Category: Large Structures]]
[[Category: Large Structures]]
[[Category: Ma J]]
[[Category: Ma J]]

Revision as of 06:59, 29 March 2023

Crystal structure of beta-lactoglobulin complexed with chloroquine

PDB ID 7er3

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