8sjg - Revision history

OCA at 10:53, 22 May 2024

OCA — Wed, 22 May 2024 10:53:36 GMT

←Older revision		Revision as of 10:53, 22 May 2024
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	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 </=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.		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 </=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 ~~Jun 23~~. doi: 10.1021/jacs.3c04047. PMID:37352018<ref>PMID:37352018</ref>	+	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®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>

OCA at 05:48, 5 July 2023

OCA — Wed, 05 Jul 2023 05:48:42 GMT

←Older revision		Revision as of 05:48, 5 July 2023
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-	'''Unreleased structure'''

-	~~The entry~~ 8sjg is ~~ON HOLD~~	+	==Zn-Bound Structure of Computationally Designed Homotrimer Tet4==
		+	<StructureSection load='8sjg' size='340' side='right'caption='[[8sjg]], [[Resolution\|resolution]] 2.39Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[8sjg]] is a 2 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=8SJG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8SJG 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]] 2.39Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ZN:ZINC+ION'>ZN</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=8sjg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8sjg OCA], [https://pdbe.org/8sjg PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8sjg RCSB], [https://www.ebi.ac.uk/pdbsum/8sjg PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8sjg ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== 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 </=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.

-	~~Authors:~~ Hoffnagle, A.M.~~, Tezcan, F~~.A.	+	Atomically Accurate Design of Metalloproteins with Predefined Coordination Geometries.,Hoffnagle AM, Tezcan FA J Am Chem Soc. 2023 Jun 23. doi: 10.1021/jacs.3c04047. PMID:37352018<ref>PMID:37352018</ref>

-	~~Description: Zn-Bound Structure~~ of ~~Computationally Designed Homotrimer Tet4~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
-	[[Category: ~~Tezcan, F.A~~]]	+	<div class="pdbe-citations 8sjg" style="background-color:#fffaf0;"></div>
-	[[Category: Hoffnagle~~, A.M~~]]	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Synthetic construct]]
		+	[[Category: Hoffnagle AM]]
		+	[[Category: Tezcan FA]]

OCA: Protected "8sjg" [edit=sysop:move=sysop]

OCA — Wed, 26 Apr 2023 15:27:19 GMT

Protected "8sjg" [edit=sysop:move=sysop]

←Older revision

Revision as of 15:27, 26 April 2023

OCA: New page: '''Unreleased structure''' The entry 8sjg is ON HOLD Authors: Hoffnagle, A.M., Tezcan, F.A. Description: Zn-Bound Structure of Computationally Designed Homotrimer Tet4 [[Category: Unre...

OCA — Wed, 26 Apr 2023 15:27:17 GMT

New page: '''Unreleased structure''' The entry 8sjg is ON HOLD Authors: Hoffnagle, A.M., Tezcan, F.A. Description: Zn-Bound Structure of Computationally Designed Homotrimer Tet4 [[Category: Unre...

New page

'''Unreleased structure'''

The entry 8sjg is ON HOLD

Authors: Hoffnagle, A.M., Tezcan, F.A.

Description: Zn-Bound Structure of Computationally Designed Homotrimer Tet4
[[Category: Unreleased Structures]]
[[Category: Tezcan, F.A]]
[[Category: Hoffnagle, A.M]]