6zyt: Difference between revisions
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==Monomeric streptavidin with a conjugated biotinylated pyrrolidine== | ==Monomeric streptavidin with a conjugated biotinylated pyrrolidine== | ||
<StructureSection load='6zyt' size='340' side='right'caption='[[6zyt]]' scene=''> | <StructureSection load='6zyt' size='340' side='right'caption='[[6zyt]], [[Resolution|resolution]] 1.80Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ZYT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6ZYT FirstGlance]. <br> | <table><tr><td colspan='2'>[[6zyt]] is a 6 chain structure with sequence from [https://en.wikipedia.org/wiki/As_4.1583 As 4.1583]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ZYT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6ZYT FirstGlance]. <br> | ||
</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=6zyt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6zyt OCA], [https://pdbe.org/6zyt PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6zyt RCSB], [https://www.ebi.ac.uk/pdbsum/6zyt PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6zyt ProSAT]</span></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=UJE:5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-N-((S)-pyrrolidin-3-yl)pentanamide'>UJE</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=6zyt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6zyt OCA], [https://pdbe.org/6zyt PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6zyt RCSB], [https://www.ebi.ac.uk/pdbsum/6zyt PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6zyt ProSAT]</span></td></tr> | |||
</table> | </table> | ||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
Here, we combine the use of host screening, protein crystallography and QM/MM molecular dynamics simulations to investigate how the protein structure affects iminium catalysis by biotinylated secondary amines in a model 1,4 conjugate addition reaction. Monomeric streptavidin (M-Sav) lacks a quaternary structure and the solvent-exposed reaction site resulted in poor product conversion in the model reaction with low enantio- and regioselectivities. These parameters were much improved when the tetrameric host T-Sav was used; indeed, residues at the symmetrical subunit interface were proven to be critical for catalysis through a mutagenesis study. The use of QM/MM simulations and the asymmetric dimeric variant D-Sav revealed that both Lys121 residues which are located in the hosting and neighboring subunits play a critical role in controlling the stereoselectivity and reactivity. Lastly, the D-Sav template, though providing a lower conversion than that of the symmetric tetrameric counterpart, is likely a better starting point for future protein engineering because each surrounding residue within the asymmetric scaffold can be refined for secondary amine catalysis. | |||
The role of streptavidin and its variants in catalysis by biotinylated secondary amines.,Nodling AR, Santi N, Castillo R, Lipka-Lloyd M, Jin Y, Morrill LC, Swiderek K, Moliner V, Luk LYP Org Biomol Chem. 2021 Dec 8;19(47):10424-10431. doi: 10.1039/d1ob01947c. PMID:34825690<ref>PMID:34825690</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
<div class="pdbe-citations 6zyt" style="background-color:#fffaf0;"></div> | |||
== References == | |||
<references/> | |||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: As 4 1583]] | |||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
[[Category: Jin Y]] | [[Category: Jin, Y]] | ||
[[Category: Lipka-Lloyd M]] | [[Category: Lipka-Lloyd, M]] | ||
[[Category: Luk | [[Category: Luk, L Y.P]] | ||
[[Category: Nodling | [[Category: Nodling, A R]] | ||
[[Category: Rizkallah P]] | [[Category: Rizkallah, P]] | ||
[[Category: Tsai | [[Category: Tsai, Y H]] | ||
[[Category: Artificial enzyme]] | |||
[[Category: Beta-barrel]] | |||
[[Category: Biotin-binding protein]] | |||
[[Category: De novo protein]] | |||
[[Category: Streptavidin]] | |||
Revision as of 07:16, 9 March 2022
Monomeric streptavidin with a conjugated biotinylated pyrrolidine
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