4e3q: Difference between revisions

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-[[Image:4e3q.png|left|200px]]
-{{STRUCTURE_4e3q|  PDB=4e3q  |  SCENE=  }}
+==PMP-bound form of Aminotransferase crystal structure from Vibrio fluvialis==
+<StructureSection load='4e3q' size='340' side='right'caption='[[4e3q]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[4e3q]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Vibrio_fluvialis Vibrio fluvialis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4E3Q OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4E3Q 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]] 1.9&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BEN:BENZAMIDINE'>BEN</scene>, <scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=PMP:4-DEOXY-4-AMINOPYRIDOXAL-5-PHOSPHATE'>PMP</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=4e3q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4e3q OCA], [https://pdbe.org/4e3q PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4e3q RCSB], [https://www.ebi.ac.uk/pdbsum/4e3q PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4e3q ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/F2XBU9_VIBFL F2XBU9_VIBFL]
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Several protein engineering approaches were combined to optimize the selectivity and activity of Vibrio fluvialis aminotransferase (Vfat) for the synthesis of (3S,5R)-ethyl 3-amino-5-methyloctanoate; a key intermediate in the synthesis of imagabalin, an advanced candidate for the treatment of generalized anxiety disorder. Starting from wild-type Vfat, which had extremely low activity catalyzing the desired reaction, we engineered an improved enzyme with a 60-fold increase in initial reaction velocity for transamination of (R)-ethyl 5-methyl 3-oxooctanoate to (3S,5R)-ethyl 3-amino-5-methyloctanoate. To achieve this, &lt;450 variants were screened, which allowed accurate assessment of enzyme performance using a low-throughput ultra performance liquid chromatography assay. During the course of this work, crystal structures of Vfat wild type and an improved variant (Vfat variant r414) were solved and they are reported here for the first time. This work also provides insight into the critical residues for substrate specificity for the transamination of (R)-ethyl 5-methyl 3-oxooctanoate and structurally related beta-ketoesters.
-===PMP-bound form of Aminotransferase crystal structure from Vibrio fluvialis===
+Redesigning and characterizing the substrate specificity and activity of Vibrio fluvialis aminotransferase for the synthesis of imagabalin.,Midelfort KS, Kumar R, Han S, Karmilowicz MJ, McConnell K, Gehlhaar DK, Mistry A, Chang JS, Anderson M, Villalobos A, Minshull J, Govindarajan S, Wong JW Protein Eng Des Sel. 2012 Sep 25. PMID:23012440<ref>PMID:23012440</ref>
-{{ABSTRACT_PUBMED_23012440}}
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
-==About this Structure==
+<div class="pdbe-citations 4e3q" style="background-color:#fffaf0;"></div>
-[[4e3q]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Vibrio_fluvialis Vibrio fluvialis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4E3Q OCA].
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Large Structures]]
 [[Category: Vibrio fluvialis]]
-[[Category: Anderson, M.]]
+[[Category: Anderson M]]
-[[Category: Chang, J S.]]
+[[Category: Chang JS]]
-[[Category: Gehlhaar, D K.]]
+[[Category: Gehlhaar DK]]
-[[Category: Govindarajan, S.]]
+[[Category: Govindarajan S]]
-[[Category: Han, S.]]
+[[Category: Han S]]
-[[Category: Karmilowicz, M J.]]
+[[Category: Karmilowicz MJ]]
-[[Category: Kumar, R.]]
+[[Category: Kumar R]]
-[[Category: McConnell, K.]]
+[[Category: McConnell K]]
-[[Category: Midelfort, K S.]]
+[[Category: Midelfort KS]]
-[[Category: Minshull, J.]]
+[[Category: Minshull J]]
-[[Category: Mistry, A.]]
+[[Category: Mistry A]]
-[[Category: Vilalobos, A.]]
+[[Category: Vilalobos A]]
-[[Category: Wong, J W.]]
+[[Category: Wong JW]]
-[[Category: Aminotransferase]]
-[[Category: Transferase]]