3vsy
From Proteopedia
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| - | {{STRUCTURE_3vsy| PDB=3vsy | SCENE= }} | ||
| - | ===High-resolution crystal structure of wild-type KSI in the apo form at neutral pH=== | ||
| - | {{ABSTRACT_PUBMED_23419007}} | ||
| - | == | + | ==High-resolution crystal structure of wild-type KSI in the apo form at neutral pH== |
| - | [[3vsy]] is a 2 chain structure with sequence from [ | + | <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 [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]] 1.5Å</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. | ||
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| + | 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> | ||
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| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 3vsy" style="background-color:#fffaf0;"></div> | ||
==See Also== | ==See Also== | ||
*[[Ketosteroid Isomerase|Ketosteroid Isomerase]] | *[[Ketosteroid Isomerase|Ketosteroid Isomerase]] | ||
| - | + | == References == | |
| - | == | + | <references/> |
| - | + | __TOC__ | |
| + | </StructureSection> | ||
| + | [[Category: Large Structures]] | ||
[[Category: Pseudomonas putida]] | [[Category: Pseudomonas putida]] | ||
| - | + | [[Category: Caaveiro JMM]] | |
| - | [[Category: Caaveiro | + | [[Category: Kobe A]] |
| - | [[Category: Kobe | + | [[Category: Tsumoto K]] |
| - | [[Category: Tsumoto | + | |
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Current revision
High-resolution crystal structure of wild-type KSI in the apo form at neutral pH
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