View source for 3vsy


==High-resolution crystal structure of wild-type KSI in the apo form at neutral pH==
<StructureSection load='3vsy' size='340' side='right'caption='[[3vsy]], [[Resolution|resolution]] 1.50&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[3vsy]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_putida Pseudomonas putida]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3VSY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3VSY 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]] 1.5&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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=3vsy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3vsy OCA], [https://pdbe.org/3vsy PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3vsy RCSB], [https://www.ebi.ac.uk/pdbsum/3vsy PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3vsy ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/SDIS_PSEPU SDIS_PSEPU] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Fragment-based drug discovery (FBDD) has enjoyed increasing popularity in recent years. We introduce SITE (single-injection thermal extinction), a novel thermodynamic methodology that selects high-quality hits early in FBDD. SITE is a fast calorimetric competitive assay suitable for automation that captures the essence of isothermal titration calorimetry but using significantly fewer resources. We describe the principles of SITE and identify a novel family of fragment inhibitors of the enzyme ketosteroid isomerase displaying high values of enthalpic efficiency.

Incorporation of rapid thermodynamic data in fragment-based drug discovery.,Kobe A, Caaveiro JM, Tashiro S, Kajihara D, Kikkawa M, Mitani T, Tsumoto K J Med Chem. 2013 Mar 14;56(5):2155-9. doi: 10.1021/jm301603n. Epub 2013 Feb 27. PMID:23419007<ref>PMID:23419007</ref>

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

==See Also==
*[[Ketosteroid Isomerase|Ketosteroid Isomerase]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Pseudomonas putida]]
[[Category: Caaveiro JMM]]
[[Category: Kobe A]]
[[Category: Tsumoto K]]