7wmz - Revision history

OCA at 19:44, 29 May 2024

2024-05-29T19:44:40Z

←Older revision		Revision as of 19:44, 29 May 2024
Line 10:		Line 10:
	== Function ==		== Function ==
	[https://www.uniprot.org/uniprot/A0R6S0_MYCS2 A0R6S0_MYCS2]		[https://www.uniprot.org/uniprot/A0R6S0_MYCS2 A0R6S0_MYCS2]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	5,10-Methylenetetraydrofolate reductase (MTHFR) is a key enzyme in folate metabolism. MSMEG_6649, a non-canonical MTHFR from Mycobacterium smegmatis, was previously reported as a monomeric protein lacking the flavin coenzyme. However, the structural basis for its unique flavin-independent catalytic mechanism remains poorly understood. Here, we determined the crystal structures of apo MTHFR MSMEG_6649 and its complex with NADH from M. smegmatis. Structural analysis revealed that the groove formed by the loops 4 and 5 of non-canonical MSMEG_6649 interacting with FAD was significantly larger than that of canonical MTHFR. Meanwhile, the NADH-binding site in MSMEG_6649 is highly similar to the FAD binding site in canonical MTHFR, suggesting that NADH plays the same role (immediate hydride donor for methylenetetraydrofolate) as FAD in the catalytic reaction. Using biochemical analysis, molecular modeling, and site-directed mutagenesis, the critical residues participating in the binding of NADH and the substrate 5,10-methylenetetrahydrofolate as well as the product 5-methyltetrahydrofolate were identified and validated. Taken together, this work not only provides a good starting point for understanding the potential catalytic mechanism for MSMEG_6649, but also identifies an exploitable target for the development of anti-mycobacterial drugs.
		+
		+	Structural and functional characterization of a mycobacterial methylenetetrahydrofolate reductase utilizing NADH as the exclusive cofactor.,Li J, Yang M, Li W, Lu C, Feng D, Shang Z, Wang C, Lin W Biochem J. 2023 Jul 26;480(14):1129-1146. doi: 10.1042/BCJ20230138. PMID:37435857<ref>PMID:37435857</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7wmz" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Methylenetetrahydrofolate reductase 3D structures\|Methylenetetrahydrofolate reductase 3D structures]]		*[[Methylenetetrahydrofolate reductase 3D structures\|Methylenetetrahydrofolate reductase 3D structures]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 06:54, 9 August 2023

2023-08-09T06:54:55Z

←Older revision		Revision as of 06:54, 9 August 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[7wmz]] is a 6 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycolicibacterium_smegmatis_MC2_155 Mycolicibacterium smegmatis MC2 155]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7WMZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7WMZ FirstGlance]. <br>		<table><tr><td colspan='2'>[[7wmz]] is a 6 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycolicibacterium_smegmatis_MC2_155 Mycolicibacterium smegmatis MC2 155]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7WMZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7WMZ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NAI:1,4-DIHYDRONICOTINAMIDE+ADENINE+DINUCLEOTIDE'>NAI</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]] 1.916Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NAI:1,4-DIHYDRONICOTINAMIDE+ADENINE+DINUCLEOTIDE'>NAI</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=7wmz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7wmz OCA], [https://pdbe.org/7wmz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7wmz RCSB], [https://www.ebi.ac.uk/pdbsum/7wmz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7wmz 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=7wmz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7wmz OCA], [https://pdbe.org/7wmz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7wmz RCSB], [https://www.ebi.ac.uk/pdbsum/7wmz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7wmz ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[https://www.uniprot.org/uniprot/A0R6S0_MYCS2 A0R6S0_MYCS2]		[https://www.uniprot.org/uniprot/A0R6S0_MYCS2 A0R6S0_MYCS2]
		+
		+	==See Also==
		+	*[[Methylenetetrahydrofolate reductase 3D structures\|Methylenetetrahydrofolate reductase 3D structures]]
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 06:31, 25 January 2023

2023-01-25T06:31:56Z

←Older revision		Revision as of 06:31, 25 January 2023
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 7wmz is ~~ON HOLD until Paper Publication~~	+	==Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smegmatis with NADH==
-		+	<StructureSection load='7wmz' size='340' side='right'caption='[[7wmz]], [[Resolution\|resolution]] 1.92Å' scene=''>
-	~~Authors~~: ~~Lin~~, W., ~~Wang~~, W.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[7wmz]] is a 6 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycolicibacterium_smegmatis_MC2_155 Mycolicibacterium smegmatis MC2 155]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7WMZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7WMZ FirstGlance]. <br>
-	~~Description~~: ~~Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smegmatis with NADH~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NAI:1,4-DIHYDRONICOTINAMIDE+ADENINE+DINUCLEOTIDE'>NAI</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=7wmz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7wmz OCA], [https://pdbe.org/7wmz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7wmz RCSB], [https://www.ebi.ac.uk/pdbsum/7wmz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7wmz ProSAT]</span></td></tr>
-	[[Category: Lin, W]]	+	</table>
-	[[Category: Wang, W]]	+	== Function ==
		+	[https://www.uniprot.org/uniprot/A0R6S0_MYCS2 A0R6S0_MYCS2]
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Mycolicibacterium smegmatis MC2 155]]
		+	[[Category: Lin W]]
		+	[[Category: Wang W]]

OCA at 05:08, 16 March 2022

2022-03-16T05:08:09Z

←Older revision		Revision as of 05:08, 16 March 2022
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors: Lin, W., Wang, W.		Authors: Lin, W., Wang, W.

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

2022-01-27T05:45:44Z

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

←Older revision

Revision as of 05:45, 27 January 2022

OCA: New page: '''Unreleased structure''' The entry 7wmz is ON HOLD Authors: Lin, W., Wang, W. Description: Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smeg...

2022-01-27T05:45:43Z

New page: '''Unreleased structure''' The entry 7wmz is ON HOLD Authors: Lin, W., Wang, W. Description: Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smeg...

New page

'''Unreleased structure'''

The entry 7wmz is ON HOLD

Authors: Lin, W., Wang, W.

Description: Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smegmatis with NADH
[[Category: Unreleased Structures]]
[[Category: Lin, W]]
[[Category: Wang, W]]