OCA at 06:43, 8 February 2023

OCA — Wed, 08 Feb 2023 06:43:18 GMT

←Older revision		Revision as of 06:43, 8 February 2023
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-	'''Unreleased structure'''

-	~~The entry~~ 7xky is ~~ON HOLD until Paper~~ Publication	+	==Crystal structure of Methanocaldococcus jannaschii two-subunit Fumarate hydratase apo-protein complex==
		+	<StructureSection load='7xky' size='340' side='right'caption='[[7xky]], [[Resolution\|resolution]] 2.46Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[7xky]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Methanocaldococcus_jannaschii Methanocaldococcus jannaschii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7XKY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7XKY FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</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=7xky FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7xky OCA], [https://pdbe.org/7xky PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7xky RCSB], [https://www.ebi.ac.uk/pdbsum/7xky PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7xky ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A0A832SUM4_9EURY A0A832SUM4_9EURY]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Fumarate hydratase (FH) is a remarkable catalyst that decreases the free energy of the catalyzed reaction by 30 kcal mol(-1), much larger than most exceptional enzymes with extraordinary catalytic rates. Two classes of FH are observed in nature: class-I and class-II, which have different folds, yet catalyze the same reversible hydration/dehydration reaction of the dicarboxylic acids fumarate/malate, with equal efficiencies. Using class-I FH from the hyperthermophilic archaeon Methanocaldococcus jannaschii (Mj) as a model along with comparative analysis with the only other available class-I FH structure from Leishmania major (Lm), we provide insights into the molecular mechanism of catalysis in this class of enzymes. The structure of MjFH apo-protein has been determined, revealing that large intersubunit rearrangements occur across apo- and holo-protein forms, with a largely preorganized active site for substrate binding. Site-directed mutagenesis of active site residues, kinetic analysis, and computational studies, including density functional theory (DFT) and natural population analysis, together show that residues interacting with the carboxylate group of the substrate play a pivotal role in catalysis. Our study establishes that an electrostatic network at the active site of class-I FH polarizes the substrate fumarate through interactions with its carboxylate groups, thereby permitting an easier addition of a water molecule across the olefinic bond. We propose a mechanism of catalysis in FH that occurs through transition-state stabilization involving the distortion of the electronic structure of the substrate olefinic bond mediated by the charge polarization of the bound substrate at the enzyme active site.

-	~~Authors~~:	+	Revisiting the Burden Borne by Fumarase: Enzymatic Hydration of an Olefin.,Bellur A, Das S, Jayaraman V, Behera S, Suryavanshi A, Balasubramanian S, Balaram P, Jindal G, Balaram H Biochemistry. 2023 Jan 17;62(2):476-493. doi: 10.1021/acs.biochem.2c00541. Epub , 2023 Jan 3. PMID:36595439<ref>PMID:36595439</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
		+	<div class="pdbe-citations 7xky" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Methanocaldococcus jannaschii]]
		+	[[Category: Balaram H]]
		+	[[Category: Bellur A]]
		+	[[Category: Jayaraman V]]

OCA at 11:40, 4 May 2022

OCA — Wed, 04 May 2022 11:40:19 GMT

←Older revision		Revision as of 11:40, 4 May 2022
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	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors:		Authors:

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

OCA — Wed, 27 Apr 2022 10:35:45 GMT

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

←Older revision

Revision as of 10:35, 27 April 2022

OCA: New page: '''Unreleased structure''' The entry 7xky is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 27 Apr 2022 10:35:44 GMT

New page: '''Unreleased structure''' The entry 7xky is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 7xky is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]

7xky - Revision history

OCA at 06:43, 8 February 2023

OCA at 11:40, 4 May 2022

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

OCA: New page: '''Unreleased structure''' The entry 7xky is ON HOLD Authors: Description: Category: Unreleased Structures