View source for 5byk


==Schistosoma mansoni (Blood Fluke) Sulfotransferase/S-oxamniquine Complex==
<StructureSection load='5byk' size='340' side='right'caption='[[5byk]], [[Resolution|resolution]] 1.28&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[5byk]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Schistosoma_mansoni Schistosoma mansoni]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5BYK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5BYK FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=A3P:ADENOSINE-3-5-DIPHOSPHATE'>A3P</scene>, <scene name='pdbligand=CAS:S-(DIMETHYLARSENIC)CYSTEINE'>CAS</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=OAQ:{(2S)-7-NITRO-2-[(PROPAN-2-YLAMINO)METHYL]-1,2,3,4-TETRAHYDROQUINOLIN-6-YL}METHANOL'>OAQ</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=5byk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5byk OCA], [https://pdbe.org/5byk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5byk RCSB], [https://www.ebi.ac.uk/pdbsum/5byk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5byk ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/G4VLE5_SCHMA G4VLE5_SCHMA] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
BACKGROUND: For over two decades, a racemic mixture of oxamniquine (OXA) was administered to patients infected by Schistosoma mansoni, but whether one or both enantiomers exert antischistosomal activity was unknown. Recently, a ~30 kDa S. mansoni sulfotransferase (SmSULT) was identified as the target of OXA action. METHODOLOGY/PRINCIPAL FINDINGS: Here, we separate the OXA enantiomers using chromatographic methods and assign their optical activities as dextrorotary [(+)-OXA] or levorotary [(-)-OXA]. Crystal structures of the parasite enzyme in complex with optically pure (+)-OXA and (-)-OXA) reveal their absolute configurations as S- and R-, respectively. When tested in vitro, S-OXA demonstrated the bulk of schistosomicidal activity, while R-OXA had antischistosomal effects when present at relatively high concentrations. Crystal structures R-OXA*SmSULT and S-OXA*SmSULT complexes reveal similarities in the modes of OXA binding, but only the S-OXA enantiomer is observed in the structure of the enzyme exposed to racemic OXA. CONCLUSIONS/SIGNIFICANCE: Together the data suggest the higher schistosomicidal activity of S-OXA is correlated with its ability to outcompete R-OXA binding the sulfotransferase active site. These findings have important implications for the design, syntheses, and dosing of new OXA-based antischistosomal compounds.

Structural and Functional Characterization of the Enantiomers of the Antischistosomal Drug Oxamniquine.,Taylor AB, Pica-Mattoccia L, Polcaro CM, Donati E, Cao X, Basso A, Guidi A, Rugel AR, Holloway SP, Anderson TJ, Hart PJ, Cioli D, LoVerde PT PLoS Negl Trop Dis. 2015 Oct 20;9(10):e0004132. doi:, 10.1371/journal.pntd.0004132. eCollection 2015 Oct. PMID:26485649<ref>PMID:26485649</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 5byk" style="background-color:#fffaf0;"></div>

==See Also==
*[[Sulfotransferase 3D structures|Sulfotransferase 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Schistosoma mansoni]]
[[Category: Cao X]]
[[Category: Hart PJ]]
[[Category: Holloway SP]]
[[Category: Taylor AB]]