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[[Image:3pws.png|left|200px]]


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==Crystal Structure of Aspartate beta-Semialdehide Dehydrogenase from Streptococcus pneumoniae with 2',5'-Adenosine diphosphate and D-2-aminoadipate==
The line below this paragraph, containing "STRUCTURE_3pws", creates the "Structure Box" on the page.
<StructureSection load='3pws' size='340' side='right'caption='[[3pws]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
You may change the PDB parameter (which sets the PDB file loaded into the applet)
== Structural highlights ==
or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
<table><tr><td colspan='2'>[[3pws]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptococcus_pneumoniae Streptococcus pneumoniae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3PWS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3PWS FirstGlance]. <br>
or leave the SCENE parameter empty for the default display.
</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&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=11C:(2R)-2-AMINOHEXANEDIOIC+ACID'>11C</scene>, <scene name='pdbligand=A2P:ADENOSINE-2-5-DIPHOSPHATE'>A2P</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></td></tr>
{{STRUCTURE_3pws|  PDB=3pws  |  SCENE=  }}
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3pws FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3pws OCA], [https://pdbe.org/3pws PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3pws RCSB], [https://www.ebi.ac.uk/pdbsum/3pws PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3pws ProSAT]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The aspartate biosynthetic pathway provides essential metabolites for many important biological functions, including the production of four essential amino acids. As this critical pathway is only present in plants and microbes, any disruptions will be fatal to these organisms. An early pathway enzyme, l-aspartate-beta-semialdehyde dehydrogenase, produces a key intermediate at the first branch point of this pathway. Developing potent and selective inhibitors against several orthologs in the l-aspartate-beta-semialdehyde dehydrogenase family can serve as lead compounds for antibiotic development. Kinetic studies of two small molecule fragment libraries have identified inhibitors that show good selectivity against l-aspartate-beta-semialdehyde dehydrogenases from two different bacterial species, Streptococcus pneumoniae and Vibrio cholerae, despite the presence of an identical constellation of active site amino acids in this homologous enzyme family. Structural characterization of enzyme-inhibitor complexes have elucidated different modes of binding between these structurally related enzymes. This information provides the basis for a structure-guided approach to the development of more potent and more selective inhibitors.


===Crystal Structure of Aspartate beta-Semialdehide Dehydrogenase from Streptococcus pneumoniae with 2',5'-Adenosine diphosphate and D-2-aminoadipate===
Structural Characterization of Inhibitors with Selectivity against Members of a Homologous Enzyme Family.,Pavlovsky AG, Liu X, Faehnle CR, Potente N, Viola RE Chem Biol Drug Des. 2012 Jan;79(1):128-36. doi:, 10.1111/j.1747-0285.2011.01267.x. Epub 2011 Nov 28. PMID:22039970<ref>PMID:22039970</ref>


From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 3pws" style="background-color:#fffaf0;"></div>


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==See Also==
The line below this paragraph, {{ABSTRACT_PUBMED_22039970}}, adds the Publication Abstract to the page
*[[Aspartate-semialdehyde dehydrogenase 3D structures|Aspartate-semialdehyde dehydrogenase 3D structures]]
(as it appears on PubMed at http://www.pubmed.gov), where 22039970 is the PubMed ID number.
== References ==
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<references/>
{{ABSTRACT_PUBMED_22039970}}
__TOC__
 
</StructureSection>
==About this Structure==
[[Category: Large Structures]]
[[3pws]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Streptococcus_pneumoniae Streptococcus pneumoniae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3PWS OCA].
 
==Reference==
<ref group="xtra">PMID:022039970</ref><references group="xtra"/>
[[Category: Aspartate-semialdehyde dehydrogenase]]
[[Category: Streptococcus pneumoniae]]
[[Category: Streptococcus pneumoniae]]
[[Category: Pavlovsky, A G.]]
[[Category: Pavlovsky AG]]
[[Category: Viola, R E.]]
[[Category: Viola RE]]
[[Category: Dehydrogenase]]
[[Category: Nadp]]
[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]

Latest revision as of 13:18, 1 July 2026

Crystal Structure of Aspartate beta-Semialdehide Dehydrogenase from Streptococcus pneumoniae with 2',5'-Adenosine diphosphate and D-2-aminoadipate

3pws, resolution 2.00Å

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