5tgy
From Proteopedia
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<StructureSection load='5tgy' size='340' side='right' caption='[[5tgy]], [[NMR_Ensembles_of_Models | 20 NMR models]]' scene=''> | <StructureSection load='5tgy' size='340' side='right' caption='[[5tgy]], [[NMR_Ensembles_of_Models | 20 NMR models]]' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>[[5tgy]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5TGY OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5TGY FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[5tgy]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_coli"_migula_1895 "bacillus coli" migula 1895]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5TGY OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5TGY FirstGlance]. <br> |
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7BU:[5,10,15,20-tetrakis(trifluoromethyl)porphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]zinc'>7BU</scene></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7BU:[5,10,15,20-tetrakis(trifluoromethyl)porphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]zinc'>7BU</scene></td></tr> | ||
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5tgw|5tgw]]</td></tr> | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5tgw|5tgw]]</td></tr> | ||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5tgy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5tgy OCA], [http://pdbe.org/5tgy PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5tgy RCSB], [http://www.ebi.ac.uk/pdbsum/5tgy PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5tgy ProSAT]</span></td></tr> | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5tgy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5tgy OCA], [http://pdbe.org/5tgy PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5tgy RCSB], [http://www.ebi.ac.uk/pdbsum/5tgy PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5tgy ProSAT]</span></td></tr> | ||
</table> | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Protein catalysis requires the atomic-level orchestration of side chains, substrates and cofactors, and yet the ability to design a small-molecule-binding protein entirely from first principles with a precisely predetermined structure has not been demonstrated. Here we report the design of a novel protein, PS1, that binds a highly electron-deficient non-natural porphyrin at temperatures up to 100 degrees C. The high-resolution structure of holo-PS1 is in sub-A agreement with the design. The structure of apo-PS1 retains the remote core packing of the holoprotein, with a flexible binding region that is predisposed to ligand binding with the desired geometry. Our results illustrate the unification of core packing and binding-site definition as a central principle of ligand-binding protein design. | ||
| + | |||
| + | De novo design of a hyperstable non-natural protein-ligand complex with sub-A accuracy.,Polizzi NF, Wu Y, Lemmin T, Maxwell AM, Zhang SQ, Rawson J, Beratan DN, Therien MJ, DeGrado WF Nat Chem. 2017 Dec;9(12):1157-1164. doi: 10.1038/nchem.2846. Epub 2017 Aug 21. PMID:29168496<ref>PMID:29168496</ref> | ||
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| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 5tgy" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
| + | [[Category: Bacillus coli migula 1895]] | ||
[[Category: Polizzi, N F]] | [[Category: Polizzi, N F]] | ||
[[Category: Wu, Y]] | [[Category: Wu, Y]] | ||
Revision as of 07:46, 6 December 2017
NMR structure of holo-PS1
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