7nlv: Difference between revisions

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OCA

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-'''Unreleased structure'''
-The entry 7nlv is ON HOLD
+==WILDTYPE CORE-STREPTAVIDIN WITH a conjugated BIOTINYLATED PYRROLIDINE II==
+<StructureSection load='7nlv' size='340' side='right'caption='[[7nlv]], [[Resolution|resolution]] 1.29&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[7nlv]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces_avidinii Streptomyces avidinii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7NLV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7NLV FirstGlance]. <br>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.29&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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=7nlv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7nlv OCA], [https://pdbe.org/7nlv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7nlv RCSB], [https://www.ebi.ac.uk/pdbsum/7nlv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7nlv ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/SAV_STRAV SAV_STRAV] The biological function of streptavidin is not known. Forms a strong non-covalent specific complex with biotin (one molecule of biotin per subunit of streptavidin).
+<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.
-Authors:
+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>
-Description:
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
+<div class="pdbe-citations 7nlv" style="background-color:#fffaf0;"></div>
+==See Also==
+*[[Avidin 3D structures|Avidin 3D structures]]
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Large Structures]]
+[[Category: Streptomyces avidinii]]
+[[Category: Jin Y]]
+[[Category: Luk LYP]]
+[[Category: Nodling AR]]
+[[Category: Rizkallah P]]
+[[Category: Santi N]]
+[[Category: Tsai YH]]