View source for 5wse


==Crystal structure of a cupin protein (tm1459) in osmium (Os) substituted form I==
<StructureSection load='5wse' size='340' side='right'caption='[[5wse]], [[Resolution|resolution]] 1.12&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[5wse]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Thermotoga_maritima_MSB8 Thermotoga maritima MSB8]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WSE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5WSE 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]] 1.12&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CSD:3-SULFINOALANINE'>CSD</scene>, <scene name='pdbligand=OS:OSMIUM+ION'>OS</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=5wse FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5wse OCA], [https://pdbe.org/5wse PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5wse RCSB], [https://www.ebi.ac.uk/pdbsum/5wse PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5wse ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/R4P0Z5_THEMA R4P0Z5_THEMA] 
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== Publication Abstract from PubMed ==
Thermally stable TM1459 cupin superfamily protein from Thermotoga maritima was repurposed as an osmium (Os) peroxygenase by metal-substitution strategy employing the metal-binding promiscuity. This novel artificial metalloenzyme bears a datively bound Os ion supported by the 4-histidine motif. The well-defined Os center is responsible for not only the catalytic activity but also the thermodynamic stability of the protein folding, leading to the robust biocatalyst (Tm approximately 120 degrees C). The spectroscopic analysis and atomic resolution X-ray crystal structures of Os-bound TM1459 revealed two types of donor sets to Os center with octahedral coordination geometry. One includes trans-dioxide, OH, and mer-three histidine imidazoles (O3N3 donor set), whereas another one has four histidine imidazoles plus OH and water molecule in a cis position (O2N4 donor set). The Os-bound TM1459 having the latter donor set (O2N4 donor set) was evaluated as a peroxygenase, which was able to catalyze cis-dihydroxylation of several alkenes efficiently. With the low catalyst loading (0.01% mol), up to 9100 turnover number was achieved for the dihydroxylation of 2-methoxy-6-vinyl-naphthalene (50 mM) using an equivalent of H2O2 as oxidant at 70 degrees C for 12 h. When octene isomers were dihydroxylated in a preparative scale for 5 h (2% mol cat.), the terminal alkene octene isomers was converted to the corresponding diols in a higher yield as compared with the internal alkenes. The result indicates that the protein scaffold can control the regioselectivity by the steric hindrance. This protein scaffold enhances the efficiency of the reaction by suppressing disproportionation of H2O2 on Os reaction center. Moreover, upon a simple site-directed mutagenesis, the catalytic activity was enhanced by about 3-fold, indicating that Os-TM1459 is evolvable nascent osmium peroxygenase.

A Well-Defined Osmium-Cupin Complex: Hyperstable Artificial Osmium Peroxygenase.,Fujieda N, Nakano T, Taniguchi Y, Ichihashi H, Sugimoto H, Morimoto Y, Nishikawa Y, Kurisu G, Itoh S J Am Chem Soc. 2017 Apr 3. doi: 10.1021/jacs.7b00675. PMID:28340294<ref>PMID:28340294</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 5wse" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Thermotoga maritima MSB8]]
[[Category: Fujieda N]]
[[Category: Ichihashi H]]
[[Category: Itoh S]]
[[Category: Kurisu G]]
[[Category: Nakano T]]
[[Category: Nishikawa Y]]
[[Category: Taniguchi Y]]