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4wdu

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Revision as of 02:04, 11 March 2017

17beta-HSD5 in complex with 4-chloro-N-(4-chlorobenzyl)-5-nitro-1H-pyrazole-3-carboxamide

Structural highlights

4wdu is a 1 chain structure. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:	,
Related:	4wds, 4wdt, 4wdv, 4wdw, 4wdx
Activity:	Testosterone 17-beta-dehydrogenase (NADP(+)), with EC number 1.1.1.64
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

[AK1C3_HUMAN] Catalyzes the conversion of aldehydes and ketones to alcohols. Catalyzes the reduction of prostaglandin (PG) D2, PGH2 and phenanthrenequinone (PQ) and the oxidation of 9-alpha,11-beta-PGF2 to PGD2. Functions as a bi-directional 3-alpha-, 17-beta- and 20-alpha HSD. Can interconvert active androgens, estrogens and progestins with their cognate inactive metabolites. Preferentially transforms androstenedione (4-dione) to testosterone.

Publication Abstract from PubMed

Type 5 17beta-hydroxysteroid dehydrogenase (17beta-HSD5) is an aldo-keto reductase expressed in the human prostate which catalyzes the conversion of androstenedione to testosterone. Testosterone is converted to 5alpha-dihydrotestosterone, which is present at high concentrations in patients with castration-resistant prostate cancer (CRPC). Inhibition of 17beta-HSD5 is therefore considered to be a promising therapy for treating CRPC. In the present study, crystal structures of complexes of 17beta-HSD5 with structurally diverse inhibitors derived from high-throughput screening were determined. In the structures of the complexes, various functional groups, including amide, nitro, pyrazole and hydroxyl groups, form hydrogen bonds to the catalytic residues His117 and Tyr55. In addition, major conformational changes of 17beta-HSD5 were observed following the binding of the structurally diverse inhibitors. These results demonstrate interactions between 17beta-HSD5 and inhibitors at the atomic level and enable structure-based drug design for anti-CRPC therapy.

Structures of complexes of type 5 17beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding.,Amano Y, Yamaguchi T, Niimi T, Sakashita H Acta Crystallogr D Biol Crystallogr. 2015 Apr;71(Pt 4):918-27. doi:, 10.1107/S1399004715002175. Epub 2015 Mar 27. PMID:25849402^[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ Amano Y, Yamaguchi T, Niimi T, Sakashita H. Structures of complexes of type 5 17beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding. Acta Crystallogr D Biol Crystallogr. 2015 Apr;71(Pt 4):918-27. doi:, 10.1107/S1399004715002175. Epub 2015 Mar 27. PMID:25849402 doi:http://dx.doi.org/10.1107/S1399004715002175

1 Structural highlights
2 Function
3 Publication Abstract from PubMed
4 See Also
5 References

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/4wdu"

Categories: Amano, Y | Yamaguchi, T | Aldo-keto reductase inhibitor

@@ Line 1: / Line 1: @@
 ==17beta-HSD5 in complex with 4-chloro-N-(4-chlorobenzyl)-5-nitro-1H-pyrazole-3-carboxamide==
 <StructureSection load='4wdu' size='340' side='right' caption='[[4wdu]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
@@ Line 6: / Line 7: @@
 <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4wds|4wds]], [[4wdt|4wdt]], [[4wdv|4wdv]], [[4wdw|4wdw]], [[4wdx|4wdx]]</td></tr>
 <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Testosterone_17-beta-dehydrogenase_(NADP(+)) Testosterone 17-beta-dehydrogenase (NADP(+))], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.64 1.1.1.64] </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=4wdu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wdu OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4wdu RCSB], [http://www.ebi.ac.uk/pdbsum/4wdu PDBsum]</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=4wdu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wdu OCA], [http://pdbe.org/4wdu PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4wdu RCSB], [http://www.ebi.ac.uk/pdbsum/4wdu PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4wdu ProSAT]</span></td></tr>
 </table>
 == Function ==
@@ Line 18: / Line 19: @@
 From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
 </div>
+<div class="pdbe-citations 4wdu" style="background-color:#fffaf0;"></div>
 ==See Also==

4wdu

From Proteopedia

Revision as of 02:04, 11 March 2017

17beta-HSD5 in complex with 4-chloro-N-(4-chlorobenzyl)-5-nitro-1H-pyrazole-3-carboxamide

Structural highlights

Function

Publication Abstract from PubMed

See Also

References

Contents

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