6ayq - Revision history

OCA at 14:28, 4 October 2023

OCA — Wed, 04 Oct 2023 14:28:50 GMT

←Older revision		Revision as of 14:28, 4 October 2023
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	==Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with methylthio-DADMe-Immucillin-A==		==Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with methylthio-DADMe-Immucillin-A==
-	<StructureSection load='6ayq' size='340' side='right' caption='[[6ayq]], [[Resolution\|resolution]] 1.42Å' scene=''>	+	<StructureSection load='6ayq' size='340' side='right'caption='[[6ayq]], [[Resolution\|resolution]] 1.42Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6ayq]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~"campylobacter_fetus_subsp._jejuni"_smibert_1974 "campylobacter fetus subsp.~~ jejuni~~" smibert 1974~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6AYQ OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6AYQ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6ayq]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Campylobacter_jejuni Campylobacter jejuni]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6AYQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6AYQ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=TDI:(3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL'>TDI</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]] 1.42Å</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">A0M70_07260, AJY53_05400 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=197 "Campylobacter fetus subsp. jejuni" Smibert 1974])</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=TDI:(3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL'>TDI</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Adenosylhomocysteine_nucleosidase Adenosylhomocysteine nucleosidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.2.9 3.2.2.9] </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=6ayq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ayq OCA], [https://pdbe.org/6ayq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6ayq RCSB], [https://www.ebi.ac.uk/pdbsum/6ayq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6ayq ProSAT]</span></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6ayq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ayq OCA], [~~http~~://pdbe.org/6ayq PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6ayq RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6ayq PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6ayq ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/~~A0A1E7P7U4_CAMJU A0A1E7P7U4_CAMJU]~~] Catalyzes the ~~irreversible cleavage~~ of the glycosidic bond in ~~both~~ 5'-methylthioadenosine (MTA) and S-adenosylhomocysteine (SAH~~/AdoHcy~~) to adenine and the ~~corresponding thioribose~~, 5'-~~methylthioribose~~ and S-~~ribosylhomocysteine, respectively~~.~~[SAAS~~:~~SAAS00679308]~~	+	[https://www.uniprot.org/uniprot/MQMTN_CAMJE MQMTN_CAMJE] Catalyzes the direct conversion of aminodeoxyfutalosine (AFL) into dehypoxanthine futalosine (DHFL) and adenine via the hydrolysis of the N-glycosidic bond; this reaction seems to represent an essential step in the menaquinone biosynthesis pathway in Campylobacter species. Also catalyzes the hydrolysis of 5'-methylthioadenosine (MTA) to adenine and 5'-methylthioribose. Can also probably use S-adenosylhomocysteine (SAH) as substrate, leading to adenine and S-ribosylhomocysteine. These other activities highlight the tremendous versatility of the enzyme, which also plays key roles in S-adenosylmethionine recycling and in the biosynthesis of the quorum-sensing molecule autoinducer-2. Shows negligible activity with futalosine (FL) as substrate.<ref>PMID:21489995</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Campylobacter ~~fetus subsp.~~ jejuni ~~smibert 1974~~]]	+	[[Category: Campylobacter jejuni]]
-	[[Category: ~~Adenosylhomocysteine nucleosidase~~]]	+	[[Category: Large Structures]]
-	[[Category: Almo~~, S C~~]]	+	[[Category: Almo SC]]
-	[[Category: Bonanno~~, J B~~]]	+	[[Category: Bonanno JB]]
-	[[Category: Cameron~~, S A~~]]	+	[[Category: Cameron SA]]
-	[[Category: Ducati~~, R G~~]]	+	[[Category: Ducati RG]]
-	[[Category: Harijan~~, R K~~]]	+	[[Category: Harijan RK]]
-	[[Category: Schramm~~, V L]]~~	+	[[Category: Schramm VL]]
-	~~[[Category: Foodborne disease]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Mtan enzyme]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 07:10, 31 October 2018

OCA — Wed, 31 Oct 2018 07:10:28 GMT

←Older revision		Revision as of 07:10, 31 October 2018
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	<StructureSection load='6ayq' size='340' side='right' caption='[[6ayq]], [[Resolution\|resolution]] 1.42Å' scene=''>		<StructureSection load='6ayq' size='340' side='right' caption='[[6ayq]], [[Resolution\|resolution]] 1.42Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6ayq]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6AYQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6AYQ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6ayq]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"campylobacter_fetus_subsp._jejuni"_smibert_1974 "campylobacter fetus subsp. jejuni" smibert 1974]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6AYQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6AYQ FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=TDI:(3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL'>TDI</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=TDI:(3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL'>TDI</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">A0M70_07260, AJY53_05400 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=197 "Campylobacter fetus subsp. jejuni" Smibert 1974])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Adenosylhomocysteine_nucleosidase Adenosylhomocysteine nucleosidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.2.9 3.2.2.9] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Adenosylhomocysteine_nucleosidase Adenosylhomocysteine nucleosidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.2.9 3.2.2.9] </span></td></tr>
	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6ayq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ayq OCA], [http://pdbe.org/6ayq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6ayq RCSB], [http://www.ebi.ac.uk/pdbsum/6ayq PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6ayq ProSAT]</span></td></tr>		<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6ayq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ayq OCA], [http://pdbe.org/6ayq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6ayq RCSB], [http://www.ebi.ac.uk/pdbsum/6ayq PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6ayq ProSAT]</span></td></tr>
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	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/A0A1E7P7U4_CAMJU A0A1E7P7U4_CAMJU]] Catalyzes the irreversible cleavage of the glycosidic bond in both 5'-methylthioadenosine (MTA) and S-adenosylhomocysteine (SAH/AdoHcy) to adenine and the corresponding thioribose, 5'-methylthioribose and S-ribosylhomocysteine, respectively.[SAAS:SAAS00679308]		[[http://www.uniprot.org/uniprot/A0A1E7P7U4_CAMJU A0A1E7P7U4_CAMJU]] Catalyzes the irreversible cleavage of the glycosidic bond in both 5'-methylthioadenosine (MTA) and S-adenosylhomocysteine (SAH/AdoHcy) to adenine and the corresponding thioribose, 5'-methylthioribose and S-ribosylhomocysteine, respectively.[SAAS:SAAS00679308]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Campylobacter jejuni is a Gram-negative bacterium responsible for food-borne gastroenteritis and associated with Guillain-Barre, Reiter, and irritable bowel syndromes. Antibiotic resistance in C. jejuni is common, creating a need for antibiotics with novel mechanisms of action. Menaquinone biosynthesis in C. jejuni uses the rare futalosine pathway, where 5'-methylthioadenosine nucleosidase ( CjMTAN) is proposed to catalyze the essential hydrolysis of adenine from 6-amino-6-deoxyfutalosine to form dehypoxanthinylfutalosine, a menaquinone precursor. The substrate specificity of CjMTAN is demonstrated to include 6-amino-6-deoxyfutalosine, 5'-methylthioadenosine, S-adenosylhomocysteine, adenosine, and 5'-deoxyadenosine. These activities span the catalytic specificities for the role of bacterial MTANs in menaquinone synthesis, quorum sensing, and S-adenosylmethionine recycling. We determined inhibition constants for potential transition-state analogues of CjMTAN. The best of these compounds have picomolar dissociation constants and were slow-onset tight-binding inhibitors. The most potent CjMTAN transition-state analogue inhibitors inhibited C. jejuni growth in culture at low micromolar concentrations, similar to gentamicin. The crystal structure of apoenzyme C. jejuni MTAN was solved at 1.25 A, and five CjMTAN complexes with transition-state analogues were solved at 1.42 to 1.95 A resolution. Inhibitor binding induces a loop movement to create a closed catalytic site with Asp196 and Ile152 providing purine leaving group activation and Arg192 and Glu12 activating the water nucleophile. With inhibitors bound, the interactions of the 4'-alkylthio or 4'-alkyl groups of this inhibitor family differ from the Escherichia coli MTAN structure by altered protein interactions near the hydrophobic pocket that stabilizes 4'-substituents of transition-state analogues. These CjMTAN inhibitors have potential as specific antibiotic candidates against C. jejuni.
		+
		+	Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase.,Ducati RG, Harijan RK, Cameron SA, Tyler PC, Evans GB, Schramm VL ACS Chem Biol. 2018 Oct 19. doi: 10.1021/acschembio.8b00781. PMID:30339406<ref>PMID:30339406</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6ayq" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Campylobacter fetus subsp. jejuni smibert 1974]]
	[[Category: Adenosylhomocysteine nucleosidase]]		[[Category: Adenosylhomocysteine nucleosidase]]
	[[Category: Almo, S C]]		[[Category: Almo, S C]]

OCA at 07:33, 12 September 2018

OCA — Wed, 12 Sep 2018 07:33:48 GMT

←Older revision		Revision as of 07:33, 12 September 2018
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6ayq is ~~ON HOLD until Paper Publication~~	+	==Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with methylthio-DADMe-Immucillin-A==
-		+	<StructureSection load='6ayq' size='340' side='right' caption='[[6ayq]], [[Resolution\|resolution]] 1.42Å' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[6ayq]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6AYQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6AYQ FirstGlance]. <br>
-	~~Description~~:	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=TDI:(3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL'>TDI</scene></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Adenosylhomocysteine_nucleosidase Adenosylhomocysteine nucleosidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.2.9 3.2.2.9] </span></td></tr>
		+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6ayq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ayq OCA], [http://pdbe.org/6ayq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6ayq RCSB], [http://www.ebi.ac.uk/pdbsum/6ayq PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6ayq ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/A0A1E7P7U4_CAMJU A0A1E7P7U4_CAMJU]] Catalyzes the irreversible cleavage of the glycosidic bond in both 5'-methylthioadenosine (MTA) and S-adenosylhomocysteine (SAH/AdoHcy) to adenine and the corresponding thioribose, 5'-methylthioribose and S-ribosylhomocysteine, respectively.[SAAS:SAAS00679308]
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Adenosylhomocysteine nucleosidase]]
		+	[[Category: Almo, S C]]
		+	[[Category: Bonanno, J B]]
		+	[[Category: Cameron, S A]]
		+	[[Category: Ducati, R G]]
		+	[[Category: Harijan, R K]]
		+	[[Category: Schramm, V L]]
		+	[[Category: Foodborne disease]]
		+	[[Category: Hydrolase]]
		+	[[Category: Mtan enzyme]]
		+	[[Category: Transferase]]

OCA: Protected "6ayq" [edit=sysop:move=sysop]

OCA — Wed, 27 Sep 2017 16:57:56 GMT

Protected "6ayq" [edit=sysop:move=sysop]

←Older revision

Revision as of 16:57, 27 September 2017

OCA: New page: '''Unreleased structure''' The entry 6ayq is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures

OCA — Wed, 27 Sep 2017 16:57:55 GMT

New page: '''Unreleased structure''' The entry 6ayq is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 6ayq is ON HOLD until Paper Publication

Authors:

Description:
[[Category: Unreleased Structures]]