8u9j: Difference between revisions

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'''Unreleased structure'''


The entry 8u9j is ON HOLD
==The crystal structure of iron-bound human ADO C18S C239S variant at 2.02 Angstrom==
<StructureSection load='8u9j' size='340' side='right'caption='[[8u9j]], [[Resolution|resolution]] 2.02&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[8u9j]] is a 2 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=8U9J OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8U9J 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]] 2.02&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=8u9j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8u9j OCA], [https://pdbe.org/8u9j PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8u9j RCSB], [https://www.ebi.ac.uk/pdbsum/8u9j PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8u9j ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/AEDO_HUMAN AEDO_HUMAN]
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
We investigated the metal-substituted catalytic activity of human cysteamine dioxygenase (ADO), an enzyme pivotal in regulating thiol metabolism and contributing to oxygen homeostasis. Our findings demonstrate the catalytic competence of cobalt(II)- and nickel(II)-substituted ADO in cysteamine oxygenation. Notably, Co(II)-ADO exhibited superiority over Ni(II)-ADO despite remaining significantly less active than the natural enzyme. Structural analyses through X-ray crystallography and cobalt K-edge excitation confirmed successful metal substitution with minimal structural perturbations. This provided a robust structural basis, supporting a conserved catalytic mechanism tailored to distinct metal centers. This finding challenges the proposed high-valent ferryl-based mechanism for thiol dioxygenases, suggesting a non-high-valent catalytic pathway in the native enzyme. Further investigation of the cysteamine-bound or a peptide mimic of N-terminus RGS5 bound Co(II)-ADO binary complex revealed the metal center's high-spin (S = 3/2) state. Upon reaction with O(2), a kinetically and spectroscopically detectable intermediate emerged with a ground spin state of S = 1/2. This intermediate exhibits a characteristic (59)Co hyperfine splitting (A = 67 MHz) structure in the EPR spectrum alongside UV-vis features, consistent with known low-spin Co(III)-superoxo complexes. This observation, unique for protein-bound thiolate-ligated cobalt centers in a protein, unveils the capacities for O(2) activation in such metal environments. These findings provide valuable insights into the non-heme iron-dependent thiol dioxygenase mechanistic landscape, furthering our understanding of thiol metabolism regulation. The exploration of metal-substituted ADO sheds light on the intricate interplay between metal and catalytic activity in this essential enzyme.


Authors: Liu, A., Li, J., Ran, D.
Cobalt(II)-Substituted Cysteamine Dioxygenase Oxygenation Proceeds through a Cobalt(III)-Superoxo Complex.,Li J, Duan R, Liu A J Am Chem Soc. 2024 Jul 10;146(27):18292-18297. doi: 10.1021/jacs.4c01871. Epub , 2024 Jun 28. PMID:38941563<ref>PMID:38941563</ref>


Description: The crystal structure of iron-bound human ADO C18S C239S variant at 2.02 Angstrom
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[Category: Unreleased Structures]]
</div>
[[Category: Li, J]]
<div class="pdbe-citations 8u9j" style="background-color:#fffaf0;"></div>
[[Category: Ran, D]]
== References ==
[[Category: Liu, A]]
<references/>
__TOC__
</StructureSection>
[[Category: Homo sapiens]]
[[Category: Large Structures]]
[[Category: Duan R]]
[[Category: Li J]]
[[Category: Liu A]]
Retrieved from "https://proteopedia.org/8u9j"