9xsa: Difference between revisions
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==Crystal structure of a cupin protein (tm1459, R39M/H52A/H54A/H92A/C106E mutant) in ruthenium(p-cymene) bound form== | |||
<StructureSection load='9xsa' size='340' side='right'caption='[[9xsa]], [[Resolution|resolution]] 1.42Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[9xsa]] is a 2 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=9XSA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=9XSA 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]] 1.423Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MML:1-METHYL-4-(1-METHYLETHYL)BENZENE'>MML</scene>, <scene name='pdbligand=RU:RUTHENIUM+ION'>RU</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=9xsa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=9xsa OCA], [https://pdbe.org/9xsa PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=9xsa RCSB], [https://www.ebi.ac.uk/pdbsum/9xsa PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=9xsa ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/Q9X1H0_THEMA Q9X1H0_THEMA] | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
A ruthenium(p-cymene)-cupin complex functioning as an artificial ketone reductase was developed through structure-guided engineering. Refinement of the primary and secondary coordination spheres based on a 1-His metal-binding motif enabled efficient asymmetric transfer hydrogenation of trifluoroacetophenone in water, affording up to 95% ee and 92% coupling efficiency. | |||
Rational design of a ruthenium-cupin complex as an artificial ketone reductase.,Matsumoto K, Kitazawa S, Matsumoto R, Morita Y, Fujieda N Chem Commun (Camb). 2026 Mar 17;62(21):5942-5946. doi: 10.1039/d5cc07188g. PMID:41769794<ref>PMID:41769794</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
<div class="pdbe-citations 9xsa" style="background-color:#fffaf0;"></div> | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Large Structures]] | |||
[[Category: Thermotoga maritima MSB8]] | |||
[[Category: Fujieda N]] | |||
[[Category: Matsumoto K]] | |||
[[Category: Matsumoto R]] | |||
[[Category: Morita Y]] | |||
Latest revision as of 08:32, 29 April 2026
Crystal structure of a cupin protein (tm1459, R39M/H52A/H54A/H92A/C106E mutant) in ruthenium(p-cymene) bound form
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