5x5u: Difference between revisions

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'''Unreleased structure'''


The entry 5x5u is ON HOLD until Paper Publication
==Crystal strcuture of alpha-ketoglutarate-semialdehyde dehydrogenase (KGSADH) complexed with NAD==
<StructureSection load='5x5u' size='340' side='right' caption='[[5x5u]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[5x5u]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5X5U OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5X5U FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene></td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5x5t|5x5t]]</td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5x5u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5x5u OCA], [http://pdbe.org/5x5u PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5x5u RCSB], [http://www.ebi.ac.uk/pdbsum/5x5u PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5x5u ProSAT]</span></td></tr>
</table>
== Function ==
[[http://www.uniprot.org/uniprot/KGSDH_AZOBR KGSDH_AZOBR]] Catalyzes the NAD(P)(+)-dependent oxidation of alpha-ketoglutaric semialdehyde (alphaKGSA) to alpha-ketoglutarate. Is involved in a degradation pathway of L-arabinose that allows A.brasilense to grow on L-arabinose as a sole carbon source. Prefers NAD(+) to NADP(+) as a cosubstrate. Displays broad substrate specificity: exhibits the highest activity with alphaKGSA and succinic semialdehyde as substrates, but to a lesser extent, is also active with glutaraldehyde, benzaldehyde, and a number of aldehydes from C3 to C8.<ref>PMID:16835232</ref>  
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
3-Hydroxypropionic acid (3-HP) is an important platform chemical to be converted to acrylic acid and acrylamide. Aldehyde dehydrogenase (ALDH), an enzyme that catalyzes the reaction of 3-hydroxypropionaldehyde (3-HPA) to 3-HP, determines 3-HP production rate during the conversion of glycerol to 3-HP. To elucidate molecular mechanism of 3-HP production, we determined the first crystal structure of a 3-HP producing ALDH, alpha-ketoglutarate-semialdehyde dehydrogenase from Azospirillum basilensis (AbKGSADH), in its apo-form and in complex with NAD+. Although showing an overall structure similar to other ALDHs, the AbKGSADH enzyme had an optimal substrate binding site for accepting 3-HPA as a substrate. Molecular docking simulation of 3-HPA into the AbKGSADH structure revealed that the residues Asn159, Gln160 and Arg163 stabilize the aldehyde- and the hydroxyl-groups of 3-HPA through hydrogen bonds, and several hydrophobic residues, such as Phe156, Val286, Ile288, and Phe450, provide the optimal size and shape for 3-HPA binding. We also compared AbKGSADH with other reported 3-HP producing ALDHs for the crucial amino acid residues for enzyme catalysis and substrate binding, which provides structural implications on how these enzymes utilize 3-HPA as a substrate.


Authors: Son, H.-F., Kim, K.-J.
Structural insights into the production of 3-hydroxypropionic acid by aldehyde dehydrogenase from Azospirillum brasilense.,Son HF, Park S, Yoo TH, Jung GY, Kim KJ Sci Rep. 2017 Apr 10;7:46005. doi: 10.1038/srep46005. PMID:28393833<ref>PMID:28393833</ref>


Description: Crystal strcuture of alpha-ketoglutarate-semialdehyde dehydrogenase (KGSADH) complexed with NAD
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[Category: Unreleased Structures]]
</div>
[[Category: Kim, K.-J]]
<div class="pdbe-citations 5x5u" style="background-color:#fffaf0;"></div>
[[Category: Son, H.-F]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Kim, K J]]
[[Category: Son, H F]]
[[Category: Alpha-ketoglutarate semialdehyde dehydrogenase]]
[[Category: Oxidoreductase]]
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