4kqx

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{{STRUCTURE_4kqx| PDB=4kqx | SCENE= }}
 
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===Mutant Slackia exigua KARI DDV in complex with NAD and an inhibitor===
 
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==About this Structure==
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==Mutant Slackia exigua KARI DDV in complex with NAD and an inhibitor==
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[[4kqx]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Slackia_exigua_atcc_700122 Slackia exigua atcc 700122]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KQX OCA].
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<StructureSection load='4kqx' size='340' side='right'caption='[[4kqx]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
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[[Category: Ketol-acid reductoisomerase]]
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== Structural highlights ==
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[[Category: Slackia exigua atcc 700122]]
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<table><tr><td colspan='2'>[[4kqx]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Slackia_exigua_ATCC_700122 Slackia exigua ATCC 700122]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KQX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4KQX FirstGlance]. <br>
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[[Category: Arnold, F H.]]
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.8&#8491;</td></tr>
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[[Category: Brinkmann-Chen, S.]]
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HIO:N-HYDROXY-N-ISOPROPYLOXAMIC+ACID'>HIO</scene>, <scene name='pdbligand=HIS:HISTIDINE'>HIS</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene></td></tr>
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[[Category: Brustad, E M.]]
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4kqx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4kqx OCA], [https://pdbe.org/4kqx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4kqx RCSB], [https://www.ebi.ac.uk/pdbsum/4kqx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4kqx ProSAT]</span></td></tr>
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[[Category: Cahn, J K.B.]]
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</table>
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[[Category: Flock, T.]]
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== Function ==
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[[Category: Mcintosh, J A.]]
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[https://www.uniprot.org/uniprot/ILVC_SLAES ILVC_SLAES] Involved in the biosynthesis of branched-chain amino acids (BCAA). Catalyzes an alkyl-migration followed by a ketol-acid reduction of (S)-2-acetolactate (S2AL) to yield (R)-2,3-dihydroxy-isovalerate. In the isomerase reaction, S2AL is rearranged via a Mg-dependent methyl migration to produce 3-hydroxy-3-methyl-2-ketobutyrate (HMKB). In the reductase reaction, this 2-ketoacid undergoes a metal-dependent reduction by NADPH to yield (R)-2,3-dihydroxy-isovalerate.[HAMAP-Rule:MF_00435]<ref>PMID:23776225</ref>
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[[Category: Meinhold, P.]]
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<div style="background-color:#fffaf0;">
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[[Category: Snow, C D.]]
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== Publication Abstract from PubMed ==
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[[Category: Zhang, L.]]
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To date, efforts to switch the cofactor specificity of oxidoreductases from nicotinamide adenine dinucleotide phosphate (NADPH) to nicotinamide adenine dinucleotide (NADH) have been made on a case-by-case basis with varying degrees of success. Here we present a straightforward recipe for altering the cofactor specificity of a class of NADPH-dependent oxidoreductases, the ketol-acid reductoisomerases (KARIs). Combining previous results for an engineered NADH-dependent variant of Escherichia coli KARI with available KARI crystal structures and a comprehensive KARI-sequence alignment, we identified key cofactor specificity determinants and used this information to construct five KARIs with reversed cofactor preference. Additional directed evolution generated two enzymes having NADH-dependent catalytic efficiencies that are greater than the wild-type enzymes with NADPH. High-resolution structures of a wild-type/variant pair reveal the molecular basis of the cofactor switch.
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[[Category: Acetohydroxyacid isomeroreductase]]
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[[Category: Cofactor switch]]
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General approach to reversing ketol-acid reductoisomerase cofactor dependence from NADPH to NADH.,Brinkmann-Chen S, Flock T, Cahn JK, Snow CD, Brustad EM, McIntosh JA, Meinhold P, Zhang L, Arnold FH Proc Natl Acad Sci U S A. 2013 Jul 2;110(27):10946-51. doi:, 10.1073/pnas.1306073110. Epub 2013 Jun 17. PMID:23776225<ref>PMID:23776225</ref>
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[[Category: Ketol-acid reductoisomerase]]
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[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[Category: Rossmann fold]]
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</div>
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<div class="pdbe-citations 4kqx" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Ketol-acid reductoisomerase 3D structures|Ketol-acid reductoisomerase 3D structures]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
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[[Category: Slackia exigua ATCC 700122]]
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[[Category: Arnold FH]]
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[[Category: Brinkmann-Chen S]]
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[[Category: Brustad EM]]
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[[Category: Cahn JKB]]
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[[Category: Flock T]]
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[[Category: Mcintosh JA]]
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[[Category: Meinhold P]]
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[[Category: Snow CD]]
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[[Category: Zhang L]]

Current revision

Mutant Slackia exigua KARI DDV in complex with NAD and an inhibitor

PDB ID 4kqx

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