View source for 6era


==Crystal structure of cyclohexanone monooxygenase mutant (F249A, F280A and F435A) from Rhodococcus sp. Phi1 bound to NADP+==
<StructureSection load='6era' size='340' side='right'caption='[[6era]], [[Resolution|resolution]] 2.49&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[6era]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Rhodococcus_sp._Phi1 Rhodococcus sp. Phi1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ERA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6ERA 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]] 2.49&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <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=6era FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6era OCA], [https://pdbe.org/6era PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6era RCSB], [https://www.ebi.ac.uk/pdbsum/6era PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6era ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/Q84H73_9NOCA Q84H73_9NOCA] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Monoterpenoids offer potential as biocatalytically derived monomer feedstocks for high-performance renewable polymers. We describe a biocatalytic route to lactone monomers menthide and dihydrocarvide employing Baeyer-Villiger monooxygenases (BVMOs) from Pseudomonas sp. HI-70 (CPDMO) and Rhodococcus sp. Phi1 (CHMOPhi1) as an alternative to organic synthesis. The regioselectivity of dihydrocarvide isomer formation was controlled by site-directed mutagenesis of three key active site residues in CHMOPhi1. A combination of crystal structure determination, molecular dynamics simulations, and mechanistic modeling using density functional theory on a range of models provides insight into the origins of the discrimination of the wild type and a variant CHMOPhi1 for producing different regioisomers of the lactone product. Ring-opening polymerizations of the resultant lactones using mild metal-organic catalysts demonstrate their utility in polymer production. This semisynthetic approach utilizing a biocatalytic step, non-petroleum feedstocks, and mild polymerization catalysts allows access to known and also to previously unreported and potentially novel lactone monomers and polymers.

Biocatalytic Routes to Lactone Monomers for Polymer Production.,Messiha HL, Ahmed ST, Karuppiah V, Suardiaz R, Ascue Avalos GA, Fey N, Yeates S, Toogood HS, Mulholland AJ, Scrutton NS Biochemistry. 2018 Apr 3;57(13):1997-2008. doi: 10.1021/acs.biochem.8b00169. Epub, 2018 Mar 22. PMID:29533655<ref>PMID:29533655</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 6era" style="background-color:#fffaf0;"></div>

==See Also==
*[[Monooxygenase 3D structures|Monooxygenase 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Rhodococcus sp. Phi1]]
[[Category: Karuppiah V]]
[[Category: Scrutton NS]]