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| | ==NMR structure of holo-PS1== | | ==NMR structure of holo-PS1== |
| - | <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]]' scene=''> |
| | == Structural highlights == | | == Structural highlights == |
| - | <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> | + | <table><tr><td colspan='2'>[[5tgy]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. 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 [https://proteopedia.org/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" id="ligandDat"><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='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=5tgy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5tgy OCA], [https://pdbe.org/5tgy PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5tgy RCSB], [https://www.ebi.ac.uk/pdbsum/5tgy PDBsum], [https://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;"> | | <div style="background-color:#fffaf0;"> |
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| | __TOC__ | | __TOC__ |
| | </StructureSection> | | </StructureSection> |
| - | [[Category: Bacillus coli migula 1895]] | + | [[Category: Escherichia coli]] |
| | [[Category: Large Structures]] | | [[Category: Large Structures]] |
| - | [[Category: Polizzi, N F]] | + | [[Category: Polizzi NF]] |
| - | [[Category: Wu, Y]] | + | [[Category: Wu Y]] |
| - | [[Category: 4-helix bundle]]
| + | |
| - | [[Category: Coiled-coil]]
| + | |
| - | [[Category: Holoprotein]]
| + | |
| - | [[Category: Unknown function]]
| + | |
| Structural highlights
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[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
References
- ↑ Polizzi NF, Wu Y, Lemmin T, Maxwell AM, Zhang SQ, Rawson J, Beratan DN, Therien MJ, DeGrado WF. De novo design of a hyperstable non-natural protein-ligand complex with sub-A accuracy. Nat Chem. 2017 Dec;9(12):1157-1164. doi: 10.1038/nchem.2846. Epub 2017 Aug 21. PMID:29168496 doi:http://dx.doi.org/10.1038/nchem.2846
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