View source for 7tnb


==Caulobacter segnis arene reductase (CSAR) - WT==
<StructureSection load='7tnb' size='340' side='right'caption='[[7tnb]], [[Resolution|resolution]] 1.79&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[7tnb]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Caulobacter_segnis Caulobacter segnis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7TNB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7TNB 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]] 1.79&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=7tnb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7tnb OCA], [https://pdbe.org/7tnb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7tnb RCSB], [https://www.ebi.ac.uk/pdbsum/7tnb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7tnb ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/D5VJG6_CAUST D5VJG6_CAUST] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The catalytic asymmetric construction of Csp(3)-Csp(3) bonds remains one of the foremost challenges in organic synthesis.(1) Metal-catalyzed cross-electrophile couplings (XEC) have emerged as a powerful tool for C-C bond formation.(2-5) However, coupling two distinct Csp(3)-electrophiles with high cross- and stereoselectivity continues as an unmet challenge. Here, we report a highly chemo- and enantioselective Csp(3)-Csp(3) XEC between alkyl halides and nitroalkanes catalyzed by flavin-dependent 'ene'-reductases. Photoexcitation of the enzyme-templated charge-transfer complex between an alkyl halide and flavin cofactor enables the chemoselective reduction of alkyl halide over the thermodynamically favored nitroalkane partner. The key C-C bond-forming step occurs via the reaction of an alkyl radical with an in situ generated nitronate to form a nitro radical anion that collapses to form nitrite and an alkyl radical. An enzyme-controlled hydrogen atom transfer affords high levels of enantioselectivity. This reactivity is unknown in small molecule catalysis and highlights the potential for enzymes to use new mechanisms to address long-standing synthetic challenges.

An Asymmetric sp(3)-sp(3) Cross-Electrophile Coupling Using 'Ene'-Reductases.,Fu H, Cao J, Qiao T, Qi Y, Charnock SJ, Garfinkle S, Hyster TK Nature. 2022 Aug 11. pii: 10.1038/s41586-022-05167-1. doi:, 10.1038/s41586-022-05167-1. PMID:35952713<ref>PMID:35952713</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 7tnb" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Caulobacter segnis]]
[[Category: Large Structures]]
[[Category: Garfinkle SE]]
[[Category: Hyster TK]]
[[Category: Jeffrey P]]