View source for 5ojl


==Imine Reductase from Aspergillus terreus in complex with NADPH4 and dibenz[c,e]azepine==
<StructureSection load='5ojl' size='340' side='right'caption='[[5ojl]], [[Resolution|resolution]] 1.56&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[5ojl]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Aspergillus_terreus Aspergillus terreus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5OJL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5OJL 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]] 1.56&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=9X5:5-methyl-7~{H}-benzo[d][2]benzazepine'>9X5</scene>, <scene name='pdbligand=TXP:1,4,5,6-TETRAHYDRONICOTINAMIDE+ADENINE+DINUCLEOTIDE+PHOSPHATE'>TXP</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=5ojl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ojl OCA], [https://pdbe.org/5ojl PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5ojl RCSB], [https://www.ebi.ac.uk/pdbsum/5ojl PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5ojl ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/Q0CCT3_ASPTN Q0CCT3_ASPTN] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Biocatalytic retrosynthetic analysis of dibenz[c,e]azepines has highlighted the use of imine reductase (IRED) and omega-transaminase (omega-TA) biocatalysts to establish the key stereocentres of these molecules. Several enantiocomplementary IREDs were identified for the synthesis of (R)- and (S)-5-methyl-6,7-dihydro-5H-dibenz[c,e]azepine with excellent enantioselectivity, by reduction of the parent imines. Crystallographic evidence suggests that IREDs may be able to bind one conformer of the imine substrate such that, upon reduction, the major product conformer is generated directly. omega-TA biocatalysts were also successfully employed for the production of enantiopure 1-(2-bromophenyl)ethan-1-amine, thus enabling an orthogonal route for the installation of chirality into dibenz[c,e]azepine framework.

Biocatalytic Routes to Enantiomerically Enriched Dibenz[c,e]azepines.,France SP, Aleku GA, Sharma M, Mangas-Sanchez J, Howard RM, Steflik J, Kumar R, Adams RW, Slabu I, Crook R, Grogan G, Wallace TW, Turner NJ Angew Chem Int Ed Engl. 2017 Dec 4;56(49):15589-15593. doi:, 10.1002/anie.201708453. Epub 2017 Nov 7. PMID:29024400<ref>PMID:29024400</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 5ojl" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Aspergillus terreus]]
[[Category: Large Structures]]
[[Category: Grogan G]]
[[Category: Sharma M]]