7wnn
From Proteopedia
(Difference between revisions)
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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== | ||
- | <StructureSection load='7wnn' size='340' side='right'caption='[[7wnn]]' scene=''> | + | <StructureSection load='7wnn' size='340' side='right'caption='[[7wnn]], [[Resolution|resolution]] 1.53Å' scene=''> |
== Structural highlights == | == Structural highlights == | ||
- | <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> | + | <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> |
- | </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> | + | </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> |
+ | <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> | ||
+ | <div style="background-color:#fffaf0;"> | ||
+ | == Publication Abstract from PubMed == | ||
+ | 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 >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. | ||
+ | |||
+ | 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> | ||
+ | |||
+ | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
+ | </div> | ||
+ | <div class="pdbe-citations 7wnn" style="background-color:#fffaf0;"></div> | ||
+ | == References == | ||
+ | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
- | [[Category: Chen R]] | + | [[Category: Chen, R]] |
- | [[Category: Gao S]] | + | [[Category: Gao, S]] |
- | [[Category: Zhang J]] | + | [[Category: Zhang, J]] |
+ | [[Category: Imine reductase]] | ||
+ | [[Category: Ired]] | ||
+ | [[Category: Nadph]] | ||
+ | [[Category: Oxidoreductase]] |
Revision as of 03:13, 21 April 2022
Crystal structure of Imine Reductase from Actinoalloteichus hymeniacidonis in complex with NADPH
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Categories: Large Structures | Chen, R | Gao, S | Zhang, J | Imine reductase | Ired | Nadph | Oxidoreductase