7ayc - Revision history

OCA at 07:51, 7 February 2024

2024-02-07T07:51:37Z

←Older revision		Revision as of 07:51, 7 February 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[7ayc]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7AYC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7AYC FirstGlance]. <br>		<table><tr><td colspan='2'>[[7ayc]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7AYC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7AYC 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></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]] 2.02Å</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></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=7ayc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7ayc OCA], [https://pdbe.org/7ayc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7ayc RCSB], [https://www.ebi.ac.uk/pdbsum/7ayc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7ayc 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=7ayc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7ayc OCA], [https://pdbe.org/7ayc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7ayc RCSB], [https://www.ebi.ac.uk/pdbsum/7ayc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7ayc ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[https://www.uniprot.org/uniprot/MECR_HUMAN MECR_HUMAN] Catalyzes the reduction of trans-2-enoyl-CoA to acyl-CoA with chain length from C6 to C16 in an NADPH-dependent manner with preference to medium chain length substrate. May have a role in the mitochondrial synthesis of fatty acids.		[https://www.uniprot.org/uniprot/MECR_HUMAN MECR_HUMAN] Catalyzes the reduction of trans-2-enoyl-CoA to acyl-CoA with chain length from C6 to C16 in an NADPH-dependent manner with preference to medium chain length substrate. May have a role in the mitochondrial synthesis of fatty acids.
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	Mitochondrial fatty acid synthesis (mtFAS) is essential for respiratory function. MtFAS generates the octanoic acid precursor for lipoic acid synthesis, but the role of longer fatty acid products has remained unclear. The structurally well-characterized component of mtFAS, human 2E-enoyl-ACP reductase (MECR) rescues respiratory growth and lipoylation defects of a Saccharomyces cerevisiae Deltaetr1 strain lacking native mtFAS enoyl reductase. To address the role of longer products of mtFAS, we employed in silico molecular simulations to design a MECR variant with a shortened substrate binding cavity. Our in vitro and in vivo analyses indicate that the MECR G165Q variant allows synthesis of octanoyl groups but not long chain fatty acids, confirming the validity of our computational approach to engineer substrate length specificity. Furthermore, our data imply that restoring lipoylation in mtFAS deficient yeast strains is not sufficient to support respiration and that long chain acyl-ACPs generated by mtFAS are required for mitochondrial function.

-	An engineered variant of MECR reductase reveals indispensability of long-chain acyl-ACPs for mitochondrial respiration.,Tanvir Rahman M, Kristian Koski M, Panecka-Hofman J, Schmitz W, Kastaniotis AJ, Wade RC, Wierenga RK, Kalervo Hiltunen J, Autio KJ Nat Commun. 2023 Feb 4;14(1):619. doi: 10.1038/s41467-023-36358-7. PMID:36739436<ref>PMID:36739436</ref>	+	==See Also==
-		+	*[[Enoyl-Acyl-Carrier Protein Reductase 3D structures\|Enoyl-Acyl-Carrier Protein Reductase 3D structures]]
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class~~=~~"pdbe-citations 7ayc" style~~=~~"background-color:#fffaf0;"></div>~~	+
-	~~== References~~ ==	+
-	~~<references/>~~	+
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 10:32, 15 February 2023

2023-02-15T10:32:06Z

←Older revision		Revision as of 10:32, 15 February 2023
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-	'''Unreleased structure'''

-	~~The entry~~ 7ayc is ~~ON HOLD until Paper~~ Publication	+	==Crystal Structure of human mitochondrial 2-Enoyl Thioester Reductase (MECR) with single mutation G165Q==
		+	<StructureSection load='7ayc' size='340' side='right'caption='[[7ayc]], [[Resolution\|resolution]] 2.02Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[7ayc]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7AYC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7AYC 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></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=7ayc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7ayc OCA], [https://pdbe.org/7ayc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7ayc RCSB], [https://www.ebi.ac.uk/pdbsum/7ayc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7ayc ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/MECR_HUMAN MECR_HUMAN] Catalyzes the reduction of trans-2-enoyl-CoA to acyl-CoA with chain length from C6 to C16 in an NADPH-dependent manner with preference to medium chain length substrate. May have a role in the mitochondrial synthesis of fatty acids.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Mitochondrial fatty acid synthesis (mtFAS) is essential for respiratory function. MtFAS generates the octanoic acid precursor for lipoic acid synthesis, but the role of longer fatty acid products has remained unclear. The structurally well-characterized component of mtFAS, human 2E-enoyl-ACP reductase (MECR) rescues respiratory growth and lipoylation defects of a Saccharomyces cerevisiae Deltaetr1 strain lacking native mtFAS enoyl reductase. To address the role of longer products of mtFAS, we employed in silico molecular simulations to design a MECR variant with a shortened substrate binding cavity. Our in vitro and in vivo analyses indicate that the MECR G165Q variant allows synthesis of octanoyl groups but not long chain fatty acids, confirming the validity of our computational approach to engineer substrate length specificity. Furthermore, our data imply that restoring lipoylation in mtFAS deficient yeast strains is not sufficient to support respiration and that long chain acyl-ACPs generated by mtFAS are required for mitochondrial function.

-	~~Authors: Rahman~~, M~~.T.~~, Koski, M~~.K.~~, ~~Autio~~, ~~K.J.~~, Kastaniotis, ~~A.J.~~, Wierenga, ~~R.K.,~~ Hiltunen, J.K.	+	An engineered variant of MECR reductase reveals indispensability of long-chain acyl-ACPs for mitochondrial respiration.,Tanvir Rahman M, Kristian Koski M, Panecka-Hofman J, Schmitz W, Kastaniotis AJ, Wade RC, Wierenga RK, Kalervo Hiltunen J, Autio KJ Nat Commun. 2023 Feb 4;14(1):619. doi: 10.1038/s41467-023-36358-7. PMID:36739436<ref>PMID:36739436</ref>

-	~~Description: Crystal Structure~~ of ~~human mitochondrial 2~~-~~Enoyl Thioester Reductase (MECR) with single mutation G165Q~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
-	[[Category: ~~Wierenga, R.K~~]]	+	<div class="pdbe-citations 7ayc" style="background-color:#fffaf0;"></div>
-	[[Category: ~~Rahman, M.T~~]]	+	== References ==
-	[[Category: ~~Koski, M.K~~]]	+	<references/>
-	[[Category: ~~Hiltunen, J.K~~]]	+	__TOC__
-	[[Category: ~~Kastaniotis, A.J~~]]	+	</StructureSection>
-	[[Category: ~~Autio, K.J~~]]	+	[[Category: Homo sapiens]]
		+	[[Category: Large Structures]]
		+	[[Category: Autio KJ]]
		+	[[Category: Hiltunen JK]]
		+	[[Category: Kastaniotis AJ]]
		+	[[Category: Koski MK]]
		+	[[Category: Rahman MT]]
		+	[[Category: Wierenga RK]]

OCA at 05:31, 2 December 2020

2020-12-02T05:31:19Z

←Older revision		Revision as of 05:31, 2 December 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7ayc is ON HOLD	+	The entry 7ayc is ON HOLD until Paper Publication

	Authors: Rahman, M.T., Koski, M.K., Autio, K.J., Kastaniotis, A.J., Wierenga, R.K., Hiltunen, J.K.		Authors: Rahman, M.T., Koski, M.K., Autio, K.J., Kastaniotis, A.J., Wierenga, R.K., Hiltunen, J.K.
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	Description: Crystal Structure of human mitochondrial 2-Enoyl Thioester Reductase (MECR) with single mutation G165Q		Description: Crystal Structure of human mitochondrial 2-Enoyl Thioester Reductase (MECR) with single mutation G165Q
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
-	[[Category: Kastaniotis, A.J]]
-	[[Category: Autio, K.J]]
-	[[Category: Rahman, M.T]]
	[[Category: Wierenga, R.K]]		[[Category: Wierenga, R.K]]
-	[[Category: ~~Hiltunen~~, J.K]]	+	[[Category: Rahman, M.T]]
	[[Category: Koski, M.K]]		[[Category: Koski, M.K]]
		+	[[Category: Hiltunen, J.K]]
		+	[[Category: Kastaniotis, A.J]]
		+	[[Category: Autio, K.J]]

OCA: Protected "7ayc" [edit=sysop:move=sysop]

2020-11-18T07:57:28Z

Protected "7ayc" [edit=sysop:move=sysop]

←Older revision

Revision as of 07:57, 18 November 2020

OCA: New page: '''Unreleased structure''' The entry 7ayc is ON HOLD Authors: Rahman, M.T., Koski, M.K., Autio, K.J., Kastaniotis, A.J., Wierenga, R.K., Hiltunen, J.K. Description: Crystal Structure o...

2020-11-18T07:57:27Z

New page: '''Unreleased structure''' The entry 7ayc is ON HOLD Authors: Rahman, M.T., Koski, M.K., Autio, K.J., Kastaniotis, A.J., Wierenga, R.K., Hiltunen, J.K. Description: Crystal Structure o...

New page

'''Unreleased structure'''

The entry 7ayc is ON HOLD

Authors: Rahman, M.T., Koski, M.K., Autio, K.J., Kastaniotis, A.J., Wierenga, R.K., Hiltunen, J.K.

Description: Crystal Structure of human mitochondrial 2-Enoyl Thioester Reductase (MECR) with single mutation G165Q
[[Category: Unreleased Structures]]
[[Category: Kastaniotis, A.J]]
[[Category: Autio, K.J]]
[[Category: Rahman, M.T]]
[[Category: Wierenga, R.K]]
[[Category: Hiltunen, J.K]]
[[Category: Koski, M.K]]