5jsf: Difference between revisions
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New page: '''Unreleased structure''' The entry 5jsf is ON HOLD Authors: Bertoletti, N., Marchais-Oberwinkler, S., Heine, A., Klebe, G. Description: Crystal structure of 17beta-hydroxysteroid deh... |
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The | ==Crystal structure of 17beta-hydroxysteroid dehydrogenase 14 S205 variant in complex with NAD.== | ||
<StructureSection load='5jsf' size='340' side='right'caption='[[5jsf]], [[Resolution|resolution]] 1.84Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[5jsf]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5JSF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5JSF 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]] 1.842Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</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=5jsf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5jsf OCA], [https://pdbe.org/5jsf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5jsf RCSB], [https://www.ebi.ac.uk/pdbsum/5jsf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5jsf ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://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> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
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. | |||
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> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
[[Category: | <div class="pdbe-citations 5jsf" style="background-color:#fffaf0;"></div> | ||
[[Category: | |||
[[Category: Heine | ==See Also== | ||
[[Category: | *[[Hydroxysteroid dehydrogenase 3D structures|Hydroxysteroid dehydrogenase 3D structures]] | ||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Homo sapiens]] | |||
[[Category: Large Structures]] | |||
[[Category: Bertoletti N]] | |||
[[Category: Heine A]] | |||
[[Category: Klebe G]] | |||
[[Category: Marchais-Oberwinkler S]] | |||
