7aro: Difference between revisions
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<StructureSection load='7aro' size='340' side='right'caption='[[7aro]], [[Resolution|resolution]] 3.12Å' scene=''> | <StructureSection load='7aro' size='340' side='right'caption='[[7aro]], [[Resolution|resolution]] 3.12Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[7aro]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/ | <table><tr><td colspan='2'>[[7aro]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli] and [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7ARO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7ARO FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CLR:CHOLESTEROL'>CLR</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=OLA:OLEIC+ACID'>OLA</scene>, <scene name='pdbligand=RVZ:2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile'>RVZ</scene> | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 3.119Å</td></tr> | ||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CLR:CHOLESTEROL'>CLR</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=OLA:OLEIC+ACID'>OLA</scene>, <scene name='pdbligand=RVZ:2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile'>RVZ</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=7aro FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7aro OCA], [https://pdbe.org/7aro PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7aro RCSB], [https://www.ebi.ac.uk/pdbsum/7aro PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7aro ProSAT]</span></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=7aro FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7aro OCA], [https://pdbe.org/7aro PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7aro RCSB], [https://www.ebi.ac.uk/pdbsum/7aro PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7aro ProSAT]</span></td></tr> | ||
</table> | </table> | ||
== Function == | == Function == | ||
[https://www.uniprot.org/uniprot/AA2AR_HUMAN AA2AR_HUMAN] Receptor for adenosine. The activity of this receptor is mediated by G proteins which activate adenylyl cyclase.[https://www.uniprot.org/uniprot/C562_ECOLX C562_ECOLX] Electron-transport protein of unknown function. | |||
<div style="background-color:#fffaf0;"> | <div style="background-color:#fffaf0;"> | ||
== Publication Abstract from PubMed == | == Publication Abstract from PubMed == | ||
| Line 19: | Line 19: | ||
</div> | </div> | ||
<div class="pdbe-citations 7aro" style="background-color:#fffaf0;"></div> | <div class="pdbe-citations 7aro" style="background-color:#fffaf0;"></div> | ||
==See Also== | |||
*[[Adenosine A2A receptor 3D structures|Adenosine A2A receptor 3D structures]] | |||
== References == | == References == | ||
<references/> | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: | [[Category: Escherichia coli]] | ||
[[Category: Homo sapiens]] | |||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
[[Category: Amelia | [[Category: Amelia T]] | ||
[[Category: Cheng | [[Category: Cheng R]] | ||
[[Category: Cooke | [[Category: Cooke R]] | ||
[[Category: Falsini M]] | |||
[[Category: Falsini | [[Category: Heitman L]] | ||
[[Category: Heitman | [[Category: Ijzerman A]] | ||
[[Category: Ijzerman | [[Category: Liu R]] | ||
[[Category: Liu | [[Category: Segala E]] | ||
[[Category: Segala | [[Category: Verdon G]] | ||
[[Category: Van Veldhoven J]] | |||
[[Category: Verdon | [[Category: Van Westen G]] | ||
[[Category: | [[Category: Van der Es D]] | ||
[[Category: G | |||
[[Category: | |||
Latest revision as of 15:14, 1 February 2024
Crystal structure of the non-ribose partial agonist LUF5833 bound to the adenosine A2A receptorCrystal structure of the non-ribose partial agonist LUF5833 bound to the adenosine A2A receptor
Structural highlights
FunctionAA2AR_HUMAN Receptor for adenosine. The activity of this receptor is mediated by G proteins which activate adenylyl cyclase.C562_ECOLX Electron-transport protein of unknown function. Publication Abstract from PubMedIn this study, we determined the crystal structure of an engineered human adenosine A2A receptor bound to a partial agonist and compared it to structures cocrystallized with either a full agonist or an antagonist/inverse agonist. The interaction between the partial agonist, belonging to a class of dicyanopyridines, and amino acids in the ligand binding pocket inspired us to develop a small library of derivatives and assess their affinity in radioligand binding studies and potency and intrinsic activity in a functional, label-free, intact cell assay. It appeared that some of the derivatives retained the partial agonist profile, whereas other ligands turned into inverse agonists. We rationalized this remarkable behavior with additional computational docking studies. Crystal Structure and Subsequent Ligand Design of a Nonriboside Partial Agonist Bound to the Adenosine A2A Receptor.,Amelia T, van Veldhoven JPD, Falsini M, Liu R, Heitman LH, van Westen GJP, Segala E, Verdon G, Cheng RKY, Cooke RM, van der Es D, IJzerman AP J Med Chem. 2021 Mar 25. doi: 10.1021/acs.jmedchem.0c01856. PMID:33764785[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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