3zpq: Difference between revisions
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== | ==Thermostabilised turkey beta1 adrenergic receptor with 4-(piperazin-1- yl)-1H-indole bound (compound 19)== | ||
[[http://www.uniprot.org/uniprot/ADRB1_MELGA ADRB1_MELGA | <StructureSection load='3zpq' size='340' side='right'caption='[[3zpq]], [[Resolution|resolution]] 2.80Å' scene=''> | ||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[3zpq]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Meleagris_gallopavo Meleagris gallopavo]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3ZPQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3ZPQ FirstGlance]. <br> | |||
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.8Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2CV:HEGA-10'>2CV</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=XF5:4-(PIPERAZIN-1-YL)-1H-INDOLE'>XF5</scene>, <scene name='pdbligand=Y01:CHOLESTEROL+HEMISUCCINATE'>Y01</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=3zpq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3zpq OCA], [https://pdbe.org/3zpq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3zpq RCSB], [https://www.ebi.ac.uk/pdbsum/3zpq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3zpq ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/ADRB1_MELGA ADRB1_MELGA] Beta-adrenergic receptors mediate the catecholamine-induced activation of adenylate cyclase through the action of G proteins. This receptor binds epinephrine and norepinephrine with approximately equal affinity. | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
Biophysical fragment screening of a thermostabilised beta1-adrenergic receptor (beta1AR) using surface plasmon resonance (SPR) enabled the identification of moderate affinity, high ligand efficiency (LE) phenyl piperazine hits 7 and 8. Subsequent hit to lead follow up confirmed the activity of the chemotype and a structure-based design approach using protein-ligand crystal structures of the beta1AR resulted in the identification of several fragments that bound with higher affinity, including indole 19 and quinoline 20. In the first example of GPCR crystallography with ligands derived from fragment screening, structures of the stabilised beta1AR complexed with 19 and 20 were determined at resolutions of 2.8A and 2.7A, respectively. | |||
Biophysical fragment screening of the beta1-adrenergic receptor: Identification of high affinity aryl piperazine leads using structure-based drug design.,Christopher J, Brown J, Dore A, Errey J, Koglin M, Marshall FH, Myszka D, Rich RL, Tate CG, Tehan B, Warne T, Congreve M J Med Chem. 2013 Mar 21. PMID:23517028<ref>PMID:23517028</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
<div class="pdbe-citations 3zpq" style="background-color:#fffaf0;"></div> | |||
==See Also== | |||
*[[Adrenergic receptor 3D structures|Adrenergic receptor 3D structures]] | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Large Structures]] | |||
[[Category: Meleagris gallopavo]] | [[Category: Meleagris gallopavo]] | ||
[[Category: Brown | [[Category: Brown J]] | ||
[[Category: Christopher | [[Category: Christopher JA]] | ||
[[Category: Congreve | [[Category: Congreve M]] | ||
[[Category: Dore | [[Category: Dore AS]] | ||
[[Category: Errey | [[Category: Errey JC]] | ||
[[Category: Koglin | [[Category: Koglin M]] | ||
[[Category: Marshall | [[Category: Marshall FH]] | ||
[[Category: Myszka | [[Category: Myszka DG]] | ||
[[Category: Tate | [[Category: Tate CG]] | ||
[[Category: Tehan | [[Category: Tehan B]] | ||
[[Category: Warne | [[Category: Warne T]] | ||
Latest revision as of 11:09, 20 December 2023
Thermostabilised turkey beta1 adrenergic receptor with 4-(piperazin-1- yl)-1H-indole bound (compound 19)
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