3pyl

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==Crystal structure of aspartate beta-semialdehide dehydrogenase from Streptococcus pneumoniae with D-2,3-diaminopropionate==
==Crystal structure of aspartate beta-semialdehide dehydrogenase from Streptococcus pneumoniae with D-2,3-diaminopropionate==
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<StructureSection load='3pyl' size='340' side='right' caption='[[3pyl]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
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<StructureSection load='3pyl' size='340' side='right'caption='[[3pyl]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3pyl]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Streptococcus_pneumoniae_sp23-bs72 Streptococcus pneumoniae sp23-bs72]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3PYL OCA]. <br>
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<table><tr><td colspan='2'>[[3pyl]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptococcus_pneumoniae_SP23-BS72 Streptococcus pneumoniae SP23-BS72]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3PYL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3PYL FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2RA:3-AMINO-D-ALANINE'>2RA</scene><br>
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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]] 2.2&#8491;</td></tr>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3pwk|3pwk]], [[3pws|3pws]], [[3pyx|3pyx]], [[3pzb|3pzb]], [[3pzr|3pzr]], [[3q0e|3q0e]], [[3q11|3q11]], [[3q1l|3q1l]]</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=2RA:3-AMINO-D-ALANINE'>2RA</scene></td></tr>
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<tr><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">CGSSp23BS72_03388 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=406563 Streptococcus pneumoniae SP23-BS72])</td></tr>
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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=3pyl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3pyl OCA], [https://pdbe.org/3pyl PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3pyl RCSB], [https://www.ebi.ac.uk/pdbsum/3pyl PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3pyl ProSAT]</span></td></tr>
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<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </span></td></tr>
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</table>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3pyl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3pyl OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3pyl RCSB], [http://www.ebi.ac.uk/pdbsum/3pyl PDBsum]</span></td></tr>
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<table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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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.
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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>
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
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==See Also==
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</div>
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*[[Aspartate-semialdehyde dehydrogenase 3D structures|Aspartate-semialdehyde dehydrogenase 3D structures]]
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Aspartate-semialdehyde dehydrogenase]]
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[[Category: Large Structures]]
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[[Category: Streptococcus pneumoniae sp23-bs72]]
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[[Category: Streptococcus pneumoniae SP23-BS72]]
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[[Category: Faehnle, C R.]]
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[[Category: Faehnle CR]]
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[[Category: Liu, X]]
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[[Category: Liu X]]
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[[Category: Pavlovsky, A G.]]
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[[Category: Pavlovsky AG]]
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[[Category: Potente, N.]]
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[[Category: Potente N]]
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[[Category: Viola R.E.]]
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[[Category: Viola RE]]
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[[Category: Nadp]]
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[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]
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Current revision

Crystal structure of aspartate beta-semialdehide dehydrogenase from Streptococcus pneumoniae with D-2,3-diaminopropionate

PDB ID 3pyl

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