7wnn

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==Crystal structure of Imine Reductase from Actinoalloteichus hymeniacidonis in complex with NADPH==
==Crystal structure of Imine Reductase from Actinoalloteichus hymeniacidonis in complex with NADPH==
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<StructureSection load='7wnn' size='340' side='right'caption='[[7wnn]]' scene=''>
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<StructureSection load='7wnn' size='340' side='right'caption='[[7wnn]], [[Resolution|resolution]] 1.53&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7WNN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7WNN FirstGlance]. <br>
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<table><tr><td colspan='2'>[[7wnn]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7WNN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7WNN FirstGlance]. <br>
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</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=7wnn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7wnn OCA], [https://pdbe.org/7wnn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7wnn RCSB], [https://www.ebi.ac.uk/pdbsum/7wnn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7wnn ProSAT]</span></td></tr>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=7wnn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7wnn OCA], [https://pdbe.org/7wnn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7wnn RCSB], [https://www.ebi.ac.uk/pdbsum/7wnn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7wnn ProSAT]</span></td></tr>
</table>
</table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Although imine reductases (IREDs) are emerging as attractive reductive aminases (RedAms), their substrate scope is still narrow, and rational engineering is rare. Focusing on hydrogen bond reorganization and cavity expansion, a concise strategy combining rational cavity design, combinatorial active-site saturation test (CAST), and thermostability engineering was designed, that transformed the weakly active IR-G36 into a variant M5 with superior performance for the synthesis of (R)-3-benzylamino-1-Boc-piperidine, with a 4193-fold improvement in catalytic efficiency, a 16.2 improvement in Tm, and a significant increase in the e.e. value from 78% (R) to &gt;99% (R). M5 exhibits broad substrate scope for the synthesis of diverse azacycloalkylamines, and the reaction was demonstrated on a hectogram-scale under industrially relevant conditions. Our study provides a compelling example of the preparation of versatile and efficient IREDs, with exciting opportunities in medicinal and process chemistry as well as synthetic biology.
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Tuning an Imine Reductase for the Asymmetric Synthesis of Azacycloalkylamines by Concise Structure-Guided Engineering.,Zhang J, Liao D, Chen R, Zhu F, Ma Y, Gao L, Qu G, Cui C, Sun Z, Lei X, Gao S Angew Chem Int Ed Engl. 2022 Mar 23. doi: 10.1002/anie.202201908. PMID:35322515<ref>PMID:35322515</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 7wnn" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Large Structures]]
[[Category: Large Structures]]
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[[Category: Chen R]]
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[[Category: Chen, R]]
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[[Category: Gao S]]
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[[Category: Gao, S]]
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[[Category: Zhang J]]
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[[Category: Zhang, J]]
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[[Category: Imine reductase]]
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[[Category: Ired]]
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[[Category: Nadph]]
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[[Category: Oxidoreductase]]

Revision as of 03:13, 21 April 2022

Crystal structure of Imine Reductase from Actinoalloteichus hymeniacidonis in complex with NADPH

PDB ID 7wnn

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