6odl: Difference between revisions

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OCA

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-'''Unreleased structure'''
-The entry 6odl is ON HOLD  until Paper Publication
+==Crystal structure of GluN2A agonist binding domain with 4-butyl-(S)-CCG-IV==
+<StructureSection load='6odl' size='340' side='right'caption='[[6odl]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[6odl]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ODL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6ODL 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]] 2.3&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=M7V:(1~{S},2~{R})-2-[(1~{S})-1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl]-1-butyl-cyclopropane-1-carboxylic+acid'>M7V</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=6odl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6odl OCA], [https://pdbe.org/6odl PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6odl RCSB], [https://www.ebi.ac.uk/pdbsum/6odl PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6odl ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/NMDE1_RAT NMDE1_RAT] NMDA receptor subtype of glutamate-gated ion channels possesses high calcium permeability and voltage-dependent sensitivity to magnesium. Activation requires binding of agonist to both types of subunits.
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+We developed a versatile stereoselective route for the synthesis of new 2'-(S)-CCG-IV analogues. The route allows for late stage diversification and thereby provides access to a great variety of conformationally restricted cyclopropyl glutamate analogues. A selection of the 2'-(S)-CCG-IV analogues were evaluated using two-electrode voltage-clamp electrophysiology at recombinant GluN1/GluN2A-D receptors, demonstrating that agonists can be developed with GluN2 subunit-dependent potency and agonist efficacy. We also describe a crystal structure of the GluN2A agonist binding domain in complex with 2'-butyl-(S)-CCG-IV that determines the position of 2'-substituents in (S)-CCG-IV agonists in the glutamate binding site and provides further insight to the structural determinants of their agonist efficacy. The stereoselective synthesis described here enables versatile and straight-forward modifications to diverse analogues of interest for the development of potent subtype-specific NMDA receptor agonists and other applications.
-Authors: Mou, T.C., Clausen, R.P., Sprang, S.R., Hansen, K.B.
+Stereoselective synthesis of novel 2'-(S)-CCG-IV analogues as potent NMDA receptor agonists.,Maolanon A, Papangelis A, Kawiecki D, Mou TC, Syrenne JT, Yi F, Hansen KB, Clausen RP Eur J Med Chem. 2021 Feb 15;212:113099. doi: 10.1016/j.ejmech.2020.113099. Epub , 2020 Dec 18. PMID:33383257<ref>PMID:33383257</ref>
-Description: Crystal structure of GluN2A agonist binding domain with 4-butyl-(S)-CCG-IV
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
-[[Category: Mou, T.C]]
+<div class="pdbe-citations 6odl" style="background-color:#fffaf0;"></div>
-[[Category: Hansen, K.B]]
-[[Category: Sprang, S.R]]
+==See Also==
-[[Category: Clausen, R.P]]
+*[[Glutamate receptor 3D structures|Glutamate receptor 3D structures]]
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Large Structures]]
+[[Category: Rattus norvegicus]]
+[[Category: Clausen RP]]
+[[Category: Hansen KB]]
+[[Category: Mou TC]]
+[[Category: Sprang SR]]