8cjy

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'''Unreleased structure'''
 
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The entry 8cjy is ON HOLD until Paper Publication
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==[FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant S357T==
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<StructureSection load='8cjy' size='340' side='right'caption='[[8cjy]], [[Resolution|resolution]] 1.60&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[8cjy]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Clostridium_pasteurianum Clostridium pasteurianum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8CJY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8CJY FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.6&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=402:DICARBONYL[BIS(CYANIDE-KAPPAC)]-MU-(IMINODIMETHANETHIOLATATO-1KAPPAS 2KAPPAS)-MU-(OXOMETHYLIDENE)DIIRON(2+)'>402</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FES:FE2/S2+(INORGANIC)+CLUSTER'>FES</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=SF4:IRON/SULFUR+CLUSTER'>SF4</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=8cjy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8cjy OCA], [https://pdbe.org/8cjy PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8cjy RCSB], [https://www.ebi.ac.uk/pdbsum/8cjy PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8cjy ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/PHF1_CLOPA PHF1_CLOPA]
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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[FeFe]-hydrogenases are capable of reducing protons at a high rate. However, molecular oxygen (O2) induces the degradation of their catalytic cofactor, the H-cluster, which consists of a cubane [4Fe4S] subcluster (4FeH) and a unique diiron moiety (2FeH). Previous attempts to prevent O2-induced damage have focused on enhancing the protein's sieving effect for O2 by blocking hydrophobic gas channels that connect the protein surface and the 2FeH. In this study, we aimed to block an O2 diffusion pathway and shield 4FeH instead. Molecular dynamic (MD) simulations identified a novel water channel (WH) surrounding the H-cluster. As this hydrophilic path may be accessible for O2 molecules we applied site directed mutagenesis targeting amino acids along WH in proximity to 4FeH to block O2 diffusion. Protein film electrochemistry experiments demonstrate increased O2 stabilities for variants G302S and S357T, and MD simulations based on high-resolution crystal structures confirmed an enhanced local sieving effect for O2 in the environment of the 4FeH in both cases. The results strongly suggest that, in wild type proteins, O2 diffuses from the 4FeH to the 2FeH. These results reveal new strategies for improving the O2 stability of [FeFe]-hydrogenases by focusing on the O2 diffusion network near the active site.
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Authors:
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A Dynamic Water Channel Affects O2 Stability in [FeFe] Hydrogenases.,Brocks C, Das CK, Duan J, Yadav S, Apfel UP, Ghosh S, Hofmann E, Winkler M, Engelbrecht V, Schafer LV, Happe T ChemSusChem. 2023 Oct 13:e202301365. doi: 10.1002/cssc.202301365. PMID:37830175<ref>PMID:37830175</ref>
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Description:
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[Category: Unreleased Structures]]
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</div>
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<div class="pdbe-citations 8cjy" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Clostridium pasteurianum]]
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[[Category: Large Structures]]
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[[Category: Brocks C]]
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[[Category: Duan J]]
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[[Category: Happe T]]
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[[Category: Hofmann E]]

Revision as of 07:03, 25 October 2023

[FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant S357T

PDB ID 8cjy

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