5jr5: Difference between revisions

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'''Unreleased structure'''


The entry 5jr5 is ON HOLD  until Paper Publication
==RHCC in Complex with Elemental Sulfur==
<StructureSection load='5jr5' size='340' side='right'caption='[[5jr5]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[5jr5]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Staphylothermus_marinus Staphylothermus marinus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5JR5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5JR5 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]] 1.9&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=PS9:OCTATHIOCANE'>PS9</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=5jr5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5jr5 OCA], [https://pdbe.org/5jr5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5jr5 RCSB], [https://www.ebi.ac.uk/pdbsum/5jr5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5jr5 ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/Q54436_STAMA Q54436_STAMA]
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Elemental sulfur exists primarily as an S80 ring and serves as terminal electron acceptor for a variety of sulfur-fermenting bacteria. Hyperthermophilic archaea from black smoker vents are an exciting research tool to advance our knowledge of sulfur respiration under extreme conditions. Here, we use a hybrid method approach to demonstrate that the proteinaceous cavities of the S-layer nanotube of the hyperthermophilic archaeon Staphylothermus marinus act as a storage reservoir for cyclo-octasulfur S8. Fully atomistic molecular dynamics (MD) simulations were performed and the method of multiconfigurational thermodynamic integration was employed to compute the absolute free energy for transferring a ring of elemental sulfur S8 from an aqueous bath into the largest hydrophobic cavity of a fragment of archaeal tetrabrachion. Comparisons with earlier MD studies of the free energy of hydration as a function of water occupancy in the same cavity of archaeal tetrabrachion show that the sulfur ring is energetically favored over water.


Authors:  
Archaea S-layer nanotube from a "black smoker" in complex with cyclo-octasulfur (S8 ) rings.,McDougall M, Francisco O, Harder-Viddal C, Roshko R, Meier M, Stetefeld J Proteins. 2017 Sep 14. doi: 10.1002/prot.25385. PMID:28905430<ref>PMID:28905430</ref>


Description:  
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[Category: Unreleased Structures]]
</div>
<div class="pdbe-citations 5jr5" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Staphylothermus marinus]]
[[Category: McDougall M]]
[[Category: Meier M]]
[[Category: Stetefeld J]]
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