6f7w
From Proteopedia
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| - | '''Unreleased structure''' | ||
| - | + | ==Crystal structure of dimethylated RSL - cucurbit[7]uril complex, C2221 Form== | |
| + | <StructureSection load='6f7w' size='340' side='right'caption='[[6f7w]], [[Resolution|resolution]] 1.28Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[6f7w]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_solanacearum"_smith_1896 "bacillus solanacearum" smith 1896]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6F7W OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6F7W FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=QQ7:CUCURBIT[7]URIL'>QQ7</scene></td></tr> | ||
| + | <tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=MLY:N-DIMETHYL-LYSINE'>MLY</scene>, <scene name='pdbligand=SNM:'>SNM</scene></td></tr> | ||
| + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[6f7y|6f7y]], [[6f7x|6f7x]]</td></tr> | ||
| + | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">RSP795_21825, RSP799_05830, RUN39_v1_50103 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=305 "Bacillus solanacearum" Smith 1896])</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=6f7w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6f7w OCA], [http://pdbe.org/6f7w PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6f7w RCSB], [http://www.ebi.ac.uk/pdbsum/6f7w PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6f7w ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Here, we provide the first structural characterization of host-guest complexation between cucurbit[7]uril (Q7) and dimethyllysine (KMe2 ) in a model protein. Binding was dominated by complete encapsulation of the dimethylammonium functional group. While selectivity for the most sterically accessible dimethyllysine was observed both in solution and in the solid state, three different modes of Q7-KMe2 complexation were revealed by X-ray crystallography. The crystal structures revealed also entrapped water molecules that solvated the ammonium group within the Q7 cavity. Remarkable Q7-protein assemblies, including inter-locked octahedral cages that comprise 24 protein trimers, occurred in the solid state. Cucurbituril clusters appear to be responsible for these assemblies, suggesting a strategy to generate controlled protein architectures. | ||
| - | + | Cucurbit[7]uril-Dimethyllysine Recognition in a Model Protein.,Guagnini F, Antonik PM, Rennie ML, O'Byrne P, Khan AR, Pinalli R, Dalcanale E, Crowley PB Angew Chem Int Ed Engl. 2018 Apr 19. doi: 10.1002/anie.201803232. PMID:29673020<ref>PMID:29673020</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| - | [[Category: | + | <div class="pdbe-citations 6f7w" style="background-color:#fffaf0;"></div> |
| - | [[Category: | + | == References == |
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Bacillus solanacearum smith 1896]] | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Crowley, P B]] | ||
[[Category: Guagnini, F]] | [[Category: Guagnini, F]] | ||
| + | [[Category: Rennie, M L]] | ||
| + | [[Category: Cucurbituril]] | ||
| + | [[Category: Dimethyllysine]] | ||
| + | [[Category: Sugar binding protein]] | ||
| + | [[Category: Supramolecular recognition]] | ||
Current revision
Crystal structure of dimethylated RSL - cucurbit[7]uril complex, C2221 Form
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