9r7a
From Proteopedia
(Difference between revisions)
(New page: '''Unreleased structure''' The entry 9r7a is ON HOLD until Paper Publication Authors: Srinivas, K., Gilio, A.K., Grogan, G. Description: Imine Reductase IR91 from Kribbella flavida wit...) |
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| - | '''Unreleased structure''' | ||
| - | + | ==Imine Reductase IR91 from Kribbella flavida with NADP+ and 5-methoxy-(S)-2-(N-methylamino)tetralin== | |
| + | <StructureSection load='9r7a' size='340' side='right'caption='[[9r7a]], [[Resolution|resolution]] 1.91Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[9r7a]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Kribbella_flavida Kribbella flavida]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=9R7A OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=9R7A 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]] 1.91Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=A1JDG:(2~{S})-5-methoxy-~{N}-methyl-1,2,3,4-tetrahydronaphthalen-2-amine'>A1JDG</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</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=9r7a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=9r7a OCA], [https://pdbe.org/9r7a PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=9r7a RCSB], [https://www.ebi.ac.uk/pdbsum/9r7a PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=9r7a ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/D2PR38_KRIFD D2PR38_KRIFD] | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Imine reductases with an (S)-preference for the reduction of the model substrate 2-methyl pyrroline typically contain tyrosine in the active site (Y-IREDs) instead of the aspartate present within (R)-selective enzymes (D-IREDs). As with D-IREDs, a subset of Y-IREDs is capable of enabling reductive amination reactions between some ketone and amine partners to give optically active amines with high optical purity. However, structures of Y-IREDs in complex with the substrates and products of the reductive amination have not been forthcoming. Herein, structures of the Y-IRED IR91 from Kribbella flavida in complex with 5-methoxy-2-tetralone, a synthetic precursor to the anti-Parkinson's treatment rotigotine, and also its reductive amination product with methylamine, 5-methoxy-(S)-2-(N-methylamino)-tetralin, are presented. The structures, in combination with mutation and kinetic studies, support a role for tryptophan residue W258 in the activity of the enzyme, possibly in binding of the ketone prior to reaction with methylamine. | ||
| - | + | Structures of "Tyrosine-IRED" IR91 from Kribbella flavida in Complex with a Reductive Amination Substrate and Product.,Srinivas K, Gilio AK, Sharma M, Green L, Ascham A, Domenech J, Pogranyi B, Li J, France SP, Lewis RD, Unsworth WP, Grogan G Chembiochem. 2025 Sep 15;26(17):e202500450. doi: 10.1002/cbic.202500450. Epub , 2025 Jul 29. PMID:40727968<ref>PMID:40727968</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| - | [[Category: | + | <div class="pdbe-citations 9r7a" style="background-color:#fffaf0;"></div> |
| - | [[Category: Grogan | + | == References == |
| - | [[Category: | + | <references/> |
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Kribbella flavida]] | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Gilio AK]] | ||
| + | [[Category: Grogan G]] | ||
| + | [[Category: Srinivas K]] | ||
Current revision
Imine Reductase IR91 from Kribbella flavida with NADP+ and 5-methoxy-(S)-2-(N-methylamino)tetralin
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