|
|
| Line 1: |
Line 1: |
|
| |
|
| ==Solution NMR structure of a de novo designed double-stranded beta-helix== | | ==Solution NMR structure of a de novo designed double-stranded beta-helix== |
| <StructureSection load='6e5c' size='340' side='right'caption='[[6e5c]], [[NMR_Ensembles_of_Models | 10 NMR models]]' scene=''> | | <StructureSection load='6e5c' size='340' side='right'caption='[[6e5c]]' scene=''> |
| == Structural highlights == | | == Structural highlights == |
| <table><tr><td colspan='2'>[[6e5c]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Synthetic_construct_sequences Synthetic construct sequences]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6E5C OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6E5C FirstGlance]. <br> | | <table><tr><td colspan='2'>[[6e5c]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6E5C OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6E5C FirstGlance]. <br> |
| </td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6e5c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6e5c OCA], [http://pdbe.org/6e5c PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6e5c RCSB], [http://www.ebi.ac.uk/pdbsum/6e5c PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6e5c ProSAT]</span></td></tr> | | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Solution NMR</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=6e5c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6e5c OCA], [https://pdbe.org/6e5c PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6e5c RCSB], [https://www.ebi.ac.uk/pdbsum/6e5c PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6e5c ProSAT]</span></td></tr> |
| </table> | | </table> |
| <div style="background-color:#fffaf0;">
| |
| == Publication Abstract from PubMed ==
| |
| beta-sheet proteins carry out critical functions in biology, and hence are attractive scaffolds for computational protein design. Despite this potential, de novo design of all-beta-sheet proteins from first principles lags far behind the design of all-alpha or mixed-alphabeta domains owing to their non-local nature and the tendency of exposed beta-strand edges to aggregate. Through study of loops connecting unpaired beta-strands (beta-arches), we have identified a series of structural relationships between loop geometry, side chain directionality and beta-strand length that arise from hydrogen bonding and packing constraints on regular beta-sheet structures. We use these rules to de novo design jellyroll structures with double-stranded beta-helices formed by eight antiparallel beta-strands. The nuclear magnetic resonance structure of a hyperthermostable design closely matched the computational model, demonstrating accurate control over the beta-sheet structure and loop geometry. Our results open the door to the design of a broad range of non-local beta-sheet protein structures.
| |
|
| |
| De novo design of a non-local beta-sheet protein with high stability and accuracy.,Marcos E, Chidyausiku TM, McShan AC, Evangelidis T, Nerli S, Carter L, Nivon LG, Davis A, Oberdorfer G, Tripsianes K, Sgourakis NG, Baker D Nat Struct Mol Biol. 2018 Nov;25(11):1028-1034. doi: 10.1038/s41594-018-0141-6., Epub 2018 Oct 29. PMID:30374087<ref>PMID:30374087</ref>
| |
|
| |
| From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
| |
| </div>
| |
| <div class="pdbe-citations 6e5c" style="background-color:#fffaf0;"></div>
| |
| == References ==
| |
| <references/>
| |
| __TOC__ | | __TOC__ |
| </StructureSection> | | </StructureSection> |
| [[Category: Large Structures]] | | [[Category: Large Structures]] |
| [[Category: Synthetic construct sequences]] | | [[Category: Synthetic construct]] |
| [[Category: Baker, D]] | | [[Category: Baker D]] |
| [[Category: Chidyausiku, T M]] | | [[Category: Chidyausiku TM]] |
| [[Category: Evangelidis, T]] | | [[Category: Evangelidis T]] |
| [[Category: Marcos, E]] | | [[Category: Marcos E]] |
| [[Category: McShan, A]] | | [[Category: McShan A]] |
| [[Category: Nerli, S]] | | [[Category: Nerli S]] |
| [[Category: Sgourakis, N]] | | [[Category: Sgourakis N]] |
| [[Category: Tripsianes, K]] | | [[Category: Tripsianes K]] |
| [[Category: Beta protein]]
| |
| [[Category: Beta sheet]]
| |
| [[Category: De novo]]
| |
| [[Category: De novo protein]]
| |
