3vsy: Difference between revisions
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==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]] 1.50Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[3vsy]] is a 2 chain structure with sequence from [http://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 [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3VSY FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr> | |||
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">ksi ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=303 Pseudomonas putida])</td></tr> | |||
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Steroid_Delta-isomerase Steroid Delta-isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.3.3.1 5.3.3.1] </span></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=3vsy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3vsy OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3vsy RCSB], [http://www.ebi.ac.uk/pdbsum/3vsy PDBsum]</span></td></tr> | |||
</table> | |||
<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®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
==See Also== | ==See Also== | ||
*[[Ketosteroid Isomerase|Ketosteroid Isomerase]] | *[[Ketosteroid Isomerase|Ketosteroid Isomerase]] | ||
== References == | |||
== | <references/> | ||
__TOC__ | |||
</StructureSection> | |||
[[Category: Pseudomonas putida]] | [[Category: Pseudomonas putida]] | ||
[[Category: Steroid Delta-isomerase]] | [[Category: Steroid Delta-isomerase]] | ||
[[Category: Caaveiro, J M.M | [[Category: Caaveiro, J M.M]] | ||
[[Category: Kobe, A | [[Category: Kobe, A]] | ||
[[Category: Tsumoto, K | [[Category: Tsumoto, K]] | ||
[[Category: Alpha-beta roll]] | [[Category: Alpha-beta roll]] | ||
[[Category: Intracellular]] | [[Category: Intracellular]] | ||
Revision as of 07:19, 21 December 2014
High-resolution crystal structure of wild-type KSI in the apo form at neutral pH
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