View source for 8sji


==Apo Structure of Computationally Designed Homotrimer TP1==
<StructureSection load='8sji' size='340' side='right'caption='[[8sji]], [[Resolution|resolution]] 1.50&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[8sji]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8SJI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8SJI 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]] 1.5&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</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=8sji FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8sji OCA], [https://pdbe.org/8sji PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8sji RCSB], [https://www.ebi.ac.uk/pdbsum/8sji PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8sji ProSAT]</span></td></tr>
</table>
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== Publication Abstract from PubMed ==
We report a new computational protein design method for the construction of oligomeric protein assemblies around metal centers with predefined coordination geometries. We apply this method to design two homotrimeric assemblies, Tet4 and TP1, with tetrahedral and trigonal-pyramidal tris(histidine) metal coordination geometries, respectively, and demonstrate that both assemblies form the targeted metal centers with &lt;/=0.2 A accuracy. Although Tet4 and TP1 are constructed from the same parent protein building block, they are distinct in terms of their overall architectures, the environment surrounding the metal centers, and their metal-based reactivities, illustrating the versatility of our approach.

Atomically Accurate Design of Metalloproteins with Predefined Coordination Geometries.,Hoffnagle AM, Tezcan FA J Am Chem Soc. 2023 Jul 5;145(26):14208-14214. doi: 10.1021/jacs.3c04047. Epub , 2023 Jun 23. PMID:37352018<ref>PMID:37352018</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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<div class="pdbe-citations 8sji" style="background-color:#fffaf0;"></div>

==See Also==
*[[Topoisomerase 3D structures|Topoisomerase 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Synthetic construct]]
[[Category: Hoffnagle AM]]
[[Category: Tezcan FA]]