8aio - Revision history

OCA at 09:49, 16 September 2026

2026-09-16T09:49:10Z

← Older revision		Revision as of 09:49, 16 September 2026
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	<table><tr><td colspan='2'>[[8aio]] 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=8AIO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8AIO FirstGlance]. <br>		<table><tr><td colspan='2'>[[8aio]] 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=8AIO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8AIO 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]] 1.52Å</td></tr>		</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 1.52Å</td></tr>
	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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=MHX:1,1,7-tris(hydroxymethyl)-8-oxidanylidene-2$l^{3},6$l^{3}-dithia-4-aza-1$l^{6},7$l^{5}-diferratricyclo[4.2.0.0^{2,7}]octane-1,7-dicarbonitrile'>MHX~~</scene>, <scene name='pdbligand=SF4:IRON/SULFUR+CLUSTER'>SF4~~</scene></td></tr>		<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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=MHX:1,1,7-tris(hydroxymethyl)-8-oxidanylidene-2$l^{3},6$l^{3}-dithia-4-aza-1$l^{6},7$l^{5}-diferratricyclo[4.2.0.0^{2,7}]octane-1,7-dicarbonitrile'>MHX</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=8aio FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8aio OCA], [https://pdbe.org/8aio PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8aio RCSB], [https://www.ebi.ac.uk/pdbsum/8aio PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8aio 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=8aio FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8aio OCA], [https://pdbe.org/8aio PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8aio RCSB], [https://www.ebi.ac.uk/pdbsum/8aio PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8aio ProSAT]</span></td></tr>
	</table>		</table>

OCA at 08:12, 7 February 2024

2024-02-07T08:12:11Z

← Older revision		Revision as of 08:12, 7 February 2024
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[8aio]] 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=8AIO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8AIO FirstGlance]. <br>		<table><tr><td colspan='2'>[[8aio]] 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=8AIO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8AIO FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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=MHX:1,1,7-tris(hydroxymethyl)-8-oxidanylidene-2$l^{3},6$l^{3}-dithia-4-aza-1$l^{6},7$l^{5}-diferratricyclo[4.2.0.0^{2,7}]octane-1,7-dicarbonitrile'>MHX</scene>, <scene name='pdbligand=SF4:IRON/SULFUR+CLUSTER'>SF4</scene></td></tr>		</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 1.52Å</td></tr>
			<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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=MHX:1,1,7-tris(hydroxymethyl)-8-oxidanylidene-2$l^{3},6$l^{3}-dithia-4-aza-1$l^{6},7$l^{5}-diferratricyclo[4.2.0.0^{2,7}]octane-1,7-dicarbonitrile'>MHX</scene>, <scene name='pdbligand=SF4:IRON/SULFUR+CLUSTER'>SF4</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=8aio FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8aio OCA], [https://pdbe.org/8aio PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8aio RCSB], [https://www.ebi.ac.uk/pdbsum/8aio PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8aio 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=8aio FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8aio OCA], [https://pdbe.org/8aio PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8aio RCSB], [https://www.ebi.ac.uk/pdbsum/8aio PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8aio ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[https://www.uniprot.org/uniprot/PHF1_CLOPA PHF1_CLOPA]		[https://www.uniprot.org/uniprot/PHF1_CLOPA PHF1_CLOPA]
	~~<div style="background-color:#fffaf0;">~~
	~~== Publication Abstract from PubMed ==~~
	Hydrogenases are H2 converting enzymes that harbor catalytic cofactors in which iron (Fe) ions are coordinated by biologically unusual carbon monoxide (CO) and cyanide (CN-) ligands. Extrinsic CO and CN-, however, inhibit hydrogenases. The mechanism by which CN- binds to [FeFe]-hydrogenases is not known. Here, we obtained crystal structures of the CN--treated [FeFe]-hydrogenase CpI from Clostridium pasteurianum. The high resolution of 1.39 A allowed us to distinguish intrinsic CN- and CO ligands and to show that extrinsic CN- binds to the open coordination site of the cofactor where CO is known to bind. In contrast to other inhibitors, CN- treated crystals show conformational changes of conserved residues within the proton transfer pathway which could allow a direct proton transfer between E279 and S319. This configuration has been proposed to be vital for efficient proton transfer, but has never been observed structurally.

	Cyanide Binding to [FeFe]-Hydrogenase Stabilizes the Alternative Configuration of the Proton Transfer Pathway.,Duan J, Hemschemeier A, Burr DJ, Stripp ST, Hofmann E, Happe T Angew Chem Int Ed Engl. 2022 Dec 4. doi: 10.1002/anie.202216903. PMID:36464641<ref>PMID:36464641</ref>

	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~
	~~</div>~~
	~~<div class="pdbe-citations 8aio" style="background-color:#fffaf0;"></div>~~
	~~== References ==~~
	~~<references/>~~
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 10:08, 14 December 2022

2022-12-14T10:08:20Z

@@ Line 1: / Line 1: @@
-The entry 8aio is ON HOLD  until Paper Publication
+==CO-bound [FeFe]-hydrogenase I from Clostridium pasteurianum (CpI)==
-Authors:
+Cyanide Binding to [FeFe]-Hydrogenase Stabilizes the Alternative Configuration of the Proton Transfer Pathway.,Duan J, Hemschemeier A, Burr DJ, Stripp ST, Hofmann E, Happe T Angew Chem Int Ed Engl. 2022 Dec 4. doi: 10.1002/anie.202216903. PMID:36464641<ref>PMID:36464641</ref>
-Description:
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>

OCA at 05:22, 31 August 2022

2022-08-31T05:22:21Z

← Older revision		Revision as of 05:22, 31 August 2022
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	'''Unreleased structure'''		'''Unreleased structure'''

	The entry 8aio is ON HOLD		The entry 8aio is ON HOLD until Paper Publication

	Authors:		Authors:

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

2022-08-03T03:49:12Z

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

← Older revision	Revision as of 03:49, 3 August 2022
(No difference)

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

2022-08-03T03:49:11Z

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

New page

'''Unreleased structure'''

The entry 8aio is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]