View source for 8a6t


==Cryo-EM structure of the electron bifurcating Fe-Fe hydrogenase HydABC complex from Thermoanaerobacter kivui in the reduced state==
<StructureSection load='8a6t' size='340' side='right'caption='[[8a6t]], [[Resolution|resolution]] 3.10&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[8a6t]] is a 6 chain structure with sequence from [https://en.wikipedia.org/wiki/Thermoanaerobacter_kivui Thermoanaerobacter kivui]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8A6T OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8A6T FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Electron Microscopy, [[Resolution|Resolution]] 3.1&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FES:FE2/S2+(INORGANIC)+CLUSTER'>FES</scene>, <scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=HC1:2+IRON/2+SULFUR/5+CARBONYL/2+WATER+INORGANIC+CLUSTER'>HC1</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=8a6t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8a6t OCA], [https://pdbe.org/8a6t PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8a6t RCSB], [https://www.ebi.ac.uk/pdbsum/8a6t PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8a6t ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/A0A097ATG3_THEKI A0A097ATG3_THEKI] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Electron bifurcation is a fundamental energy coupling mechanism widespread in microorganisms that thrive under anoxic conditions. These organisms employ hydrogen to reduce CO(2), but the molecular mechanisms have remained enigmatic. The key enzyme responsible for powering these thermodynamically challenging reactions is the electron-bifurcating [FeFe]-hydrogenase HydABC that reduces low-potential ferredoxins (Fd) by oxidizing hydrogen gas (H(2)). By combining single-particle cryo-electron microscopy (cryoEM) under catalytic turnover conditions with site-directed mutagenesis experiments, functional studies, infrared spectroscopy, and molecular simulations, we show that HydABC from the acetogenic bacteria Acetobacterium woodii and Thermoanaerobacter kivui employ a single flavin mononucleotide (FMN) cofactor to establish electron transfer pathways to the NAD(P)(+) and Fd reduction sites by a mechanism that is fundamentally different from classical flavin-based electron bifurcation enzymes. By modulation of the NAD(P)(+) binding affinity via reduction of a nearby iron-sulfur cluster, HydABC switches between the exergonic NAD(P)(+) reduction and endergonic Fd reduction modes. Our combined findings suggest that the conformational dynamics establish a redox-driven kinetic gate that prevents the backflow of the electrons from the Fd reduction branch toward the FMN site, providing a basis for understanding general mechanistic principles of electron-bifurcating hydrogenases.

Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC.,Katsyv A, Kumar A, Saura P, Poverlein MC, Freibert SA, T Stripp S, Jain S, Gamiz-Hernandez AP, Kaila VRI, Muller V, Schuller JM J Am Chem Soc. 2023 Mar 15;145(10):5696-5709. doi: 10.1021/jacs.2c11683. Epub , 2023 Feb 22. PMID:36811855<ref>PMID:36811855</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 8a6t" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Thermoanaerobacter kivui]]
[[Category: Gamiz-Hernandez AP]]
[[Category: Kaila VRI]]
[[Category: Kumar A]]
[[Category: Mueller V]]
[[Category: Saura P]]
[[Category: Schuller JM]]