9p4e: Difference between revisions

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'''Unreleased structure'''


The entry 9p4e is ON HOLD
==Crystal Structure of Engineered glutamine binding protein and a Gd-DOTA ligand - no GLN bound==
<StructureSection load='9p4e' size='340' side='right'caption='[[9p4e]], [[Resolution|resolution]] 2.02&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[9p4e]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=9P4E OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=9P4E 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]] 2.02&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=A1C21:4-oxidanylidene-4-[2-[2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]ethylamino]butanoic+acid'>A1C21</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GD3:GADOLINIUM+ION'>GD3</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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=9p4e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=9p4e OCA], [https://pdbe.org/9p4e PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=9p4e RCSB], [https://www.ebi.ac.uk/pdbsum/9p4e PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=9p4e ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/C3THM2_ECOLX C3THM2_ECOLX]
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Magnetic resonance imaging (MRI) is widely used to visualize disease, and image quality can be improved through use of MRI contrast agents. Currently available agents produce a signal based solely on spatial distribution, but modern metabolic profiling has uncovered a variety of biomarkers for disease. For example, tumors greatly increase their uptake and catabolism of glutamine (Gln), leading to modified local concentration. Our laboratory previously developed a switchable artificial metalloprotein (swArM) platform in which Gln-binding causes a protein conformational change that modifies the physicochemical environment of an installed metallocofactor. Installing MRI-active metallocofactors within swArMs, we present a proof-of-concept approch toward the development of an analyte-responsive MRI contrast agent. To develop these swArMs, we tested several MRI-active metals (Gd(3+), Dy(3+)), chelating ligands (DOTA, DTPA, NOTA), and attachment sites, as well as the impacts of peripheral mutations on the Gln-responsive signal. In each case, metal content was analytically defined, and Gln-binding affinity was determined by isothermal titration calorimetry. Circular dichroism was used to verify that our swArMs could still undergo the conformational change. X-ray diffraction structures of the apo- and holo-swArMs further revealed that the metallocofactor is significantly solvent-exposed in both conformations, but exhibits additional interactions with the protein in the holo-state coinciding with the observed increase in T (2) relaxivity of approximately 60% upon Gln-binding.


Authors:  
Development of a glutamine-responsive MRI contrast agent.,Wilson CA, Bruchs AT, Fatima S, Boggs DG, Bridwell-Rabb J, Olshansky L Chem Sci. 2025 Nov 20. doi: 10.1039/d5sc05987a. PMID:41395538<ref>PMID:41395538</ref>


Description:  
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[Category: Unreleased Structures]]
</div>
<div class="pdbe-citations 9p4e" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Escherichia coli]]
[[Category: Large Structures]]
[[Category: Boggs DG]]
[[Category: Bridwell-Rabb J]]
[[Category: Bruchs AT]]
[[Category: Fatima S]]
[[Category: Olshansky L]]
[[Category: Wilson CA]]
Retrieved from "https://proteopedia.org/9p4e"