8a5e - Revision history

OCA at 06:35, 1 October 2025

2025-10-01T06:35:04Z

← Older revision		Revision as of 06:35, 1 October 2025
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[8a5e]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Acetobacterium_woodii_DSM_1030 Acetobacterium woodii DSM 1030]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8A5E OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8A5E FirstGlance]. <br>		<table><tr><td colspan='2'>[[8a5e]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Acetobacterium_woodii_DSM_1030 Acetobacterium woodii DSM 1030]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8A5E OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8A5E FirstGlance]. <br>
	</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=NAI:1,4-DIHYDRONICOTINAMIDE+ADENINE+DINUCLEOTIDE'>NAI~~</scene>, <scene name='pdbligand=SF4:IRON/SULFUR+CLUSTER'>SF4~~</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>		</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">Electron Microscopy, [[Resolution\|Resolution]] 3.4Å</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=NAI:1,4-DIHYDRONICOTINAMIDE+ADENINE+DINUCLEOTIDE'>NAI</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=8a5e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8a5e OCA], [https://pdbe.org/8a5e PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8a5e RCSB], [https://www.ebi.ac.uk/pdbsum/8a5e PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8a5e ProSAT]</span></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=8a5e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8a5e OCA], [https://pdbe.org/8a5e PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8a5e RCSB], [https://www.ebi.ac.uk/pdbsum/8a5e PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8a5e ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[https://www.uniprot.org/uniprot/~~H6LFG3_ACEWD H6LFG3_ACEWD~~]		[https://www.uniprot.org/uniprot/H6LFG4_ACEWD H6LFG4_ACEWD]
			<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®/PubMed®, a database of the U.S. National Library of Medicine.<br>
			</div>
			<div class="pdbe-citations 8a5e" style="background-color:#fffaf0;"></div>
			== References ==
			<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 12:38, 22 February 2023

2023-02-22T12:38:38Z

← Older revision		Revision as of 12:38, 22 February 2023
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	~~'''Unreleased structure'''~~

	~~The entry~~ 8a5e is ~~ON HOLD~~		==Cryo-EM structure of the electron bifurcating Fe-Fe hydrogenase HydABC complex from Acetobacterium woodii in the reduced state==
			<StructureSection load='8a5e' size='340' side='right'caption='[[8a5e]], [[Resolution\|resolution]] 3.40Å' scene=''>
	~~Authors~~:		== Structural highlights ==
			<table><tr><td colspan='2'>[[8a5e]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Acetobacterium_woodii_DSM_1030 Acetobacterium woodii DSM 1030]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8A5E OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8A5E FirstGlance]. <br>
	~~Description~~:		</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=NAI:1,4-DIHYDRONICOTINAMIDE+ADENINE+DINUCLEOTIDE'>NAI</scene>, <scene name='pdbligand=SF4:IRON/SULFUR+CLUSTER'>SF4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
	[[Category: ~~Unreleased~~ Structures]]		<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=8a5e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8a5e OCA], [https://pdbe.org/8a5e PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8a5e RCSB], [https://www.ebi.ac.uk/pdbsum/8a5e PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8a5e ProSAT]</span></td></tr>
			</table>
			== Function ==
			[https://www.uniprot.org/uniprot/H6LFG3_ACEWD H6LFG3_ACEWD]
			__TOC__
			</StructureSection>
			[[Category: Acetobacterium woodii DSM 1030]]
			[[Category: Large Structures]]
			[[Category: Gamiz-Hernandez AP]]
			[[Category: Kaila VRI]]
			[[Category: Kumar A]]
			[[Category: Mueller V]]
			[[Category: Saura P]]
			[[Category: Schuller JM]]

OCA at 15:04, 6 July 2022

2022-07-06T15:04:03Z

← Older revision		Revision as of 15:04, 6 July 2022
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	'''Unreleased structure'''		'''Unreleased structure'''

	The entry 8a5e is ON HOLD ~~until sometime in the future~~		The entry 8a5e is ON HOLD

	Authors:		Authors:

OCA at 06:20, 29 June 2022

2022-06-29T06:20:03Z

← Older revision		Revision as of 06:20, 29 June 2022
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	'''Unreleased structure'''		'''Unreleased structure'''

	The entry 8a5e is ON HOLD		The entry 8a5e is ON HOLD until sometime in the future

	Authors:		Authors:

OCA: Protected "8a5e" [edit=sysop:move=sysop]

2022-06-22T07:21:24Z

Protected "8a5e" [edit=sysop:move=sysop]

← Older revision	Revision as of 07:21, 22 June 2022
(No difference)

OCA: New page: '''Unreleased structure''' The entry 8a5e is ON HOLD Authors: Description: Category: Unreleased Structures

2022-06-22T07:21:23Z

New page: '''Unreleased structure''' The entry 8a5e is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 8a5e is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]