6u4x: Difference between revisions
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<StructureSection load='6u4x' size='340' side='right'caption='[[6u4x]], [[Resolution|resolution]] 2.25Å' scene=''> | <StructureSection load='6u4x' size='340' side='right'caption='[[6u4x]], [[Resolution|resolution]] 2.25Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[6u4x]] is a 1 chain structure with sequence from [ | <table><tr><td colspan='2'>[[6u4x]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Equus_caballus Equus caballus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6U4X OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6U4X FirstGlance]. <br> | ||
</td></tr><tr id=' | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.25Å</td></tr> | ||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=IBP:IBUPROFEN'>IBP</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></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=6u4x FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6u4x OCA], [https://pdbe.org/6u4x PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6u4x RCSB], [https://www.ebi.ac.uk/pdbsum/6u4x PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6u4x ProSAT]</span></td></tr> | |||
</table> | </table> | ||
== Function == | |||
[https://www.uniprot.org/uniprot/ALBU_HORSE ALBU_HORSE] | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
Every day, hundreds of millions of people worldwide take nonsteroidal anti-inflammatory drugs (NSAIDs), often in conjunction with multiple other medications. In the bloodstream, NSAIDs are mostly bound to serum albumin (SA). We report the crystal structures of equine serum albumin complexed with four NSAIDs (ibuprofen, ketoprofen, etodolac, and nabumetone) and the active metabolite of nabumetone (6-methoxy-2-naphthylacetic acid, 6-MNA). These compounds bind to seven drug-binding sites on SA. These sites are generally well-conserved between equine and human SAs, but ibuprofen binds to both SAs in two drug-binding sites, only one of which is common. We also compare the binding of ketoprofen by equine SA to binding of it by bovine and leporine SAs. Our comparative analysis of known SA complexes with FDA-approved drugs clearly shows that multiple medications compete for the same binding sites, indicating possibilities for undesirable physiological effects caused by drug-drug displacement or competition with common metabolites. We discuss the consequences of NSAID binding to SA in a broader scientific and medical context, particularly regarding achieving desired therapeutic effects based on an individual's drug regimen. | |||
Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma.,Czub MP, Handing KB, Venkataramany BS, Cooper DR, Shabalin IG, Minor W J Med Chem. 2020 Jul 9;63(13):6847-6862. doi: 10.1021/acs.jmedchem.0c00225. Epub , 2020 Jun 17. PMID:32469516<ref>PMID:32469516</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
<div class="pdbe-citations 6u4x" style="background-color:#fffaf0;"></div> | |||
==See Also== | |||
*[[Albumin 3D structures|Albumin 3D structures]] | |||
== References == | |||
<references/> | |||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: Equus caballus]] | [[Category: Equus caballus]] | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
[[Category: Czub MP]] | |||
[[Category: Czub | [[Category: Handing KB]] | ||
[[Category: Handing | [[Category: Joachimiak A]] | ||
[[Category: Joachimiak | [[Category: Minor W]] | ||
[[Category: Minor | [[Category: Satchell KJ]] | ||
[[Category: Satchell | [[Category: Shabalin IG]] | ||
[[Category: Shabalin | [[Category: Steen EH]] | ||
[[Category: Steen | [[Category: Venkataramany BS]] | ||
[[Category: Venkataramany | |||
Latest revision as of 11:22, 17 October 2024
Crystal structure of Equine Serum Albumin complex with ibuprofenCrystal structure of Equine Serum Albumin complex with ibuprofen
Structural highlights
FunctionPublication Abstract from PubMedEvery day, hundreds of millions of people worldwide take nonsteroidal anti-inflammatory drugs (NSAIDs), often in conjunction with multiple other medications. In the bloodstream, NSAIDs are mostly bound to serum albumin (SA). We report the crystal structures of equine serum albumin complexed with four NSAIDs (ibuprofen, ketoprofen, etodolac, and nabumetone) and the active metabolite of nabumetone (6-methoxy-2-naphthylacetic acid, 6-MNA). These compounds bind to seven drug-binding sites on SA. These sites are generally well-conserved between equine and human SAs, but ibuprofen binds to both SAs in two drug-binding sites, only one of which is common. We also compare the binding of ketoprofen by equine SA to binding of it by bovine and leporine SAs. Our comparative analysis of known SA complexes with FDA-approved drugs clearly shows that multiple medications compete for the same binding sites, indicating possibilities for undesirable physiological effects caused by drug-drug displacement or competition with common metabolites. We discuss the consequences of NSAID binding to SA in a broader scientific and medical context, particularly regarding achieving desired therapeutic effects based on an individual's drug regimen. Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma.,Czub MP, Handing KB, Venkataramany BS, Cooper DR, Shabalin IG, Minor W J Med Chem. 2020 Jul 9;63(13):6847-6862. doi: 10.1021/acs.jmedchem.0c00225. Epub , 2020 Jun 17. PMID:32469516[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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