5js6

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'''Unreleased structure'''
 
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The entry 5js6 is ON HOLD
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==Crystal structure of 17beta-hydroxysteroid dehydrogenase 14 T205 variant in complex with NAD.==
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<StructureSection load='5js6' size='340' side='right' caption='[[5js6]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[5js6]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5JS6 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5JS6 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5en4|5en4]]</td></tr>
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<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=5js6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5js6 OCA], [http://pdbe.org/5js6 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5js6 RCSB], [http://www.ebi.ac.uk/pdbsum/5js6 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5js6 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[[http://www.uniprot.org/uniprot/DHB14_HUMAN DHB14_HUMAN]] Has NAD-dependent 17-beta-hydroxysteroid dehydrogenase activity. Converts oestradiol to oestrone. The physiological substrate is not known. Acts on oestradiol and 5-androstene-3-beta,17-beta-diol (in vitro).<ref>PMID:17067289</ref>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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17beta-HSD14 is a SDR enzyme able to oxidize estradiol and 5-androstenediol using NAD+. We determined the crystal structure of this human enzyme as the holo form and as ternary complexes with estrone and with the first potent, nonsteroidal inhibitor. The structures reveal a conical, rather large and lipophilic binding site and are the starting point for structure-based inhibitor design. The two natural variants (S205 and T205) were characterized and adopt a similar structure.
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Authors: Bertoletti, N., Marchais-Oberwinkler, S., Heine, A., Klebe, G.
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New Insights into Human 17beta-Hydroxysteroid Dehydrogenase Type 14: First Crystal Structures in Complex with a Steroidal Ligand and with a Potent Nonsteroidal Inhibitor.,Bertoletti N, Braun F, Lepage M, Moller G, Adamski J, Heine A, Klebe G, Marchais-Oberwinkler S J Med Chem. 2016 Jul 12. PMID:27362750<ref>PMID:27362750</ref>
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Description: Crystal structure of 17beta-hydroxysteroid dehydrogenase 14 T205 variant in complex with NAD.
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[Category: Unreleased Structures]]
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</div>
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[[Category: Marchais-Oberwinkler, S]]
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<div class="pdbe-citations 5js6" style="background-color:#fffaf0;"></div>
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[[Category: Klebe, G]]
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== References ==
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[[Category: Heine, A]]
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<references/>
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__TOC__
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</StructureSection>
[[Category: Bertoletti, N]]
[[Category: Bertoletti, N]]
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[[Category: Heine, A]]
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[[Category: Klebe, G]]
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[[Category: Marchais-Oberwinkler, S]]
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[[Category: Cofactor complex]]
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[[Category: Hydroxysteroid dehydrogenase]]
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[[Category: Oxidoreductase]]

Revision as of 11:48, 14 July 2016

Crystal structure of 17beta-hydroxysteroid dehydrogenase 14 T205 variant in complex with NAD.

5js6, resolution 2.00Å

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