View source for 9r76


==Imine Reductase IR91 from Kribbella flavida with NADP+==
<StructureSection load='9r76' size='340' side='right'caption='[[9r76]], [[Resolution|resolution]] 1.49&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[9r76]] 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=9R76 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=9R76 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]] 1.49&#8491;</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>, <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=9r76 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=9r76 OCA], [https://pdbe.org/9r76 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=9r76 RCSB], [https://www.ebi.ac.uk/pdbsum/9r76 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=9r76 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&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 9r76" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Kribbella flavida]]
[[Category: Large Structures]]
[[Category: Grogan G]]
[[Category: Sharma M]]