View source for 4kwl


==Rat cysteine dioxygenase with 3-mercaptopropionic acid persulfide bound==
<StructureSection load='4kwl' size='340' side='right'caption='[[4kwl]], [[Resolution|resolution]] 1.63&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[4kwl]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KWL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4KWL 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]] 1.63&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3SS:3-DISULFANYLPROPANOIC+ACID'>3SS</scene>, <scene name='pdbligand=FE2:FE+(II)+ION'>FE2</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=4kwl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4kwl OCA], [https://pdbe.org/4kwl PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4kwl RCSB], [https://www.ebi.ac.uk/pdbsum/4kwl PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4kwl ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/CDO1_RAT CDO1_RAT] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Describing the organization of substrates and substrate analogues in the active site of cysteine dioxygenase identifies potential intermediates in this critical yet poorly understood reaction, the oxidation of cysteine to cysteine sulfinic acid. The fortuitous formation of persulfides under crystallization conditions has allowed their binding in the active site of cysteine dioxygenase to be studied. The crystal structures of cysteine persulfide and 3-mercaptopropionic acid persulfide bound to iron(II) in the active site show that binding of the persulfide occurs via the distal sulfide and, in the case of the cysteine persulfide, the amine also binds. Persulfide was detected by mass spectrometry in both the crystal and the drop, suggesting its origin is chemical rather than enzymatic. A mechanism involving the formation of the relevant disulfide from sulfide produced by hydrolysis of dithionite is proposed. In comparison, persulfenate {observed bound to cysteine dioxygenase [Simmons, C. R., et al. (2008) Biochemistry 47, 11390]} is shown through mass spectrometry to occur only in the crystal and not in the surrounding drop, suggesting that in the crystalline state the persulfenate does not lie on the reaction pathway. Stabilization of both the persulfenate and the persulfides does, however, suggest the position in which dioxygen binds during catalysis.

Mechanistic Implications of Persulfenate and Persulfide Binding in the Active Site of Cysteine Dioxygenase.,Souness RJ, Kleffmann T, Tchesnokov EP, Wilbanks SM, Jameson GB, Jameson GN Biochemistry. 2013 Oct 21. PMID:24084026<ref>PMID:24084026</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 4kwl" style="background-color:#fffaf0;"></div>

==See Also==
*[[Dioxygenase 3D structures|Dioxygenase 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Rattus norvegicus]]
[[Category: Jameson GB]]
[[Category: Jameson GNL]]
[[Category: Souness RJ]]
[[Category: Wilbanks SM]]