3u81 - Revision history

OCA at 10:17, 1 March 2024

OCA — Fri, 01 Mar 2024 10:17:37 GMT

←Older revision		Revision as of 10:17, 1 March 2024
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	<StructureSection load='3u81' size='340' side='right'caption='[[3u81]], [[Resolution\|resolution]] 1.13Å' scene=''>		<StructureSection load='3u81' size='340' side='right'caption='[[3u81]], [[Resolution\|resolution]] 1.13Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3u81]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Buffalo_rat Buffalo rat~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U81 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3U81 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3u81]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U81 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3U81 FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=K:POTASSIUM+ION'>K</scene>~~, ~~<scene name='pdbligand=SAH:S-ADENOSYL-L-HOMOCYSTEINE'>SAH</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]] 1.13Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>~~[[~~Related_structure~~\|~~Related:~~]]~~</b></td><td class="sblockDat"><div style='overflow: auto~~; ~~max-height: 3em;'>[[3s68\|3s68]], [[3r6t\|3r6t]], [[3nwb\|3nwb]], [[3nwe\|3nwe]]</div>~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=SAH:S-ADENOSYL-L-HOMOCYSTEINE'>SAH</scene></td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat"~~>Comt ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&~~id=~~10116 Buffalo rat])</td~~><~~/tr>~~	+
-	~~<tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:~~</b~~></td><~~td class~~=~~"sblockDat"><span class~~=~~'plainlinks'>[https~~:~~//en.wikipedia.org/wiki/Catechol_O~~-~~methyltransferase Catechol O~~-~~methyltransferase], with EC number [https://www.brenda~~-~~enzymes.info/php/result_flat.php4?ecno=2.1.1.6 2.1.1.6]~~ </~~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=3u81 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u81 OCA], [https://pdbe.org/3u81 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3u81 RCSB], [https://www.ebi.ac.uk/pdbsum/3u81 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3u81 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=3u81 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u81 OCA], [https://pdbe.org/3u81 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3u81 RCSB], [https://www.ebi.ac.uk/pdbsum/3u81 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3u81 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/COMT_RAT COMT_RAT]] Catalyzes the O-methylation, and thereby the inactivation, of catecholamine neurotransmitters and catechol hormones. Also shortens the biological half-lives of certain neuroactive drugs, like L-DOPA, alpha-methyl DOPA and isoproterenol.	+	[https://www.uniprot.org/uniprot/COMT_RAT COMT_RAT] Catalyzes the O-methylation, and thereby the inactivation, of catecholamine neurotransmitters and catechol hormones. Also shortens the biological half-lives of certain neuroactive drugs, like L-DOPA, alpha-methyl DOPA and isoproterenol.
-	~~<div style="background-color:#fffaf0;">~~	+
-	~~== Publication Abstract from PubMed ==~~	+
-	The biological activity of catechol neurotransmitters such as dopamine in the synapse is modulated by transporters and enzymes. Catechol-O-methyltransferase (COMT; EC 2.1.1.6) inactivates neurotransmitters by catalyzing the transfer of a methyl group from S-adenosylmethionine to catechols in the presence of Mg(2). This pathway also inactivates L-DOPA, the standard therapeutic for Parkinson's disease. Depletion of catechol neurotransmitters in the prefrontal cortex has been linked to schizophrenia. The inhibition of COMT therefore promises improvements in the treatment of these diseases. The concept of bisubstrate inhibitors for COMT has been described previously. Here, ribose-modified bisubstrate inhibitors were studied. Three high-resolution crystal structures of COMT in complex with novel ribose-modified bisubstrate inhibitors confirmed the predicted binding mode but displayed subtle alterations at the ribose-binding site. The high affinity of the inhibitors can be convincingly rationalized from the structures, which document the possibility of removing and/or replacing the ribose 3'-hydroxyl group and provide a framework for further inhibitor design.	+
-		+
-	Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors.,Ellermann M, Lerner C, Burgy G, Ehler A, Bissantz C, Jakob-Roetne R, Paulini R, Allemann O, Tissot H, Grunstein D, Stihle M, Diederich F, Rudolph MG Acta Crystallogr D Biol Crystallogr. 2012 Mar;68(Pt 3):253-60. Epub 2012 Feb 14. PMID:22349227<ref>PMID:22349227</ref>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 3u81" style="background-color:#fffaf0;"></div>~~	+

	==See Also==		==See Also==
	*[[Catechol O-methyltransferase 3D structures\|Catechol O-methyltransferase 3D structures]]		*[[Catechol O-methyltransferase 3D structures\|Catechol O-methyltransferase 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Buffalo rat]]
-	[[Category: Catechol O-methyltransferase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Benz, J]]	+	[[Category: Rattus norvegicus]]
-	[[Category: Ehler, A]]	+	[[Category: Benz J]]
-	[[Category: Rudolph~~, M G~~]]	+	[[Category: Ehler A]]
-	[[Category: Schlatter, D]]	+	[[Category: Rudolph MG]]
-	[[Category: Stihle, M]]	+	[[Category: Schlatter D]]
-	~~[[Category: Methyltransferase]]~~	+	[[Category: Stihle M]]
-	~~[[Category: Neurotransmitter degradation]]~~	+
-	~~[[Category: Transferase-transferase inhibitor complex~~]]	+

OCA at 06:01, 13 July 2022

OCA — Wed, 13 Jul 2022 06:01:52 GMT

←Older revision		Revision as of 06:01, 13 July 2022
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	==Crystal structure of a SAH-bound semi-holo form of rat Catechol-O-methyltransferase==		==Crystal structure of a SAH-bound semi-holo form of rat Catechol-O-methyltransferase==
-	<StructureSection load='3u81' size='340' side='right' caption='[[3u81]], [[Resolution\|resolution]] 1.13Å' scene=''>	+	<StructureSection load='3u81' size='340' side='right'caption='[[3u81]], [[Resolution\|resolution]] 1.13Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3u81]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Buffalo_rat Buffalo rat]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U81 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3U81 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3u81]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Buffalo_rat Buffalo rat]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U81 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3U81 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=SAH:S-ADENOSYL-L-HOMOCYSTEINE'>SAH</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=SAH:S-ADENOSYL-L-HOMOCYSTEINE'>SAH</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3s68\|3s68]], [[3r6t\|3r6t]], [[3nwb\|3nwb]], [[3nwe\|3nwe]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3s68\|3s68]], [[3r6t\|3r6t]], [[3nwb\|3nwb]], [[3nwe\|3nwe]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Comt ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10116 Buffalo rat])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Comt ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10116 Buffalo rat])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Catechol_O-methyltransferase Catechol O-methyltransferase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.6 2.1.1.6] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Catechol_O-methyltransferase Catechol O-methyltransferase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.6 2.1.1.6] </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=3u81 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u81 OCA], [~~http~~://pdbe.org/3u81 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3u81 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3u81 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3u81 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=3u81 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u81 OCA], [https://pdbe.org/3u81 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3u81 RCSB], [https://www.ebi.ac.uk/pdbsum/3u81 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3u81 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/COMT_RAT COMT_RAT]] Catalyzes the O-methylation, and thereby the inactivation, of catecholamine neurotransmitters and catechol hormones. Also shortens the biological half-lives of certain neuroactive drugs, like L-DOPA, alpha-methyl DOPA and isoproterenol.	+	[[https://www.uniprot.org/uniprot/COMT_RAT COMT_RAT]] Catalyzes the O-methylation, and thereby the inactivation, of catecholamine neurotransmitters and catechol hormones. Also shortens the biological half-lives of certain neuroactive drugs, like L-DOPA, alpha-methyl DOPA and isoproterenol.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 21:		Line 21:
	</div>		</div>
	<div class="pdbe-citations 3u81" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3u81" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Catechol O-methyltransferase 3D structures\|Catechol O-methyltransferase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 27:		Line 30:
	[[Category: Buffalo rat]]		[[Category: Buffalo rat]]
	[[Category: Catechol O-methyltransferase]]		[[Category: Catechol O-methyltransferase]]
		+	[[Category: Large Structures]]
	[[Category: Benz, J]]		[[Category: Benz, J]]
	[[Category: Ehler, A]]		[[Category: Ehler, A]]

OCA at 10:00, 8 November 2017

OCA — Wed, 08 Nov 2017 10:00:57 GMT

←Older revision		Revision as of 10:00, 8 November 2017
Line 21:		Line 21:
	</div>		</div>
	<div class="pdbe-citations 3u81" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3u81" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Catechol O-methyltransferase\|Catechol O-methyltransferase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 11:39, 4 August 2016

OCA — Thu, 04 Aug 2016 11:39:30 GMT

←Older revision		Revision as of 11:39, 4 August 2016
Line 1:		Line 1:
		+
	==Crystal structure of a SAH-bound semi-holo form of rat Catechol-O-methyltransferase==		==Crystal structure of a SAH-bound semi-holo form of rat Catechol-O-methyltransferase==
	<StructureSection load='3u81' size='340' side='right' caption='[[3u81]], [[Resolution\|resolution]] 1.13Å' scene=''>		<StructureSection load='3u81' size='340' side='right' caption='[[3u81]], [[Resolution\|resolution]] 1.13Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3u81]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Rattus_norvegicus Rattus norvegicus~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U81 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3U81 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3u81]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Buffalo_rat Buffalo rat]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U81 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3U81 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=SAH:S-ADENOSYL-L-HOMOCYSTEINE'>SAH</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=SAH:S-ADENOSYL-L-HOMOCYSTEINE'>SAH</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3s68\|3s68]], [[3r6t\|3r6t]], [[3nwb\|3nwb]], [[3nwe\|3nwe]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3s68\|3s68]], [[3r6t\|3r6t]], [[3nwb\|3nwb]], [[3nwe\|3nwe]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Comt ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10116 ~~Rattus norvegicus~~])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Comt ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10116 Buffalo rat])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Catechol_O-methyltransferase Catechol O-methyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.6 2.1.1.6] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Catechol_O-methyltransferase Catechol O-methyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.6 2.1.1.6] </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=3u81 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u81 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3u81 RCSB], [http://www.ebi.ac.uk/pdbsum/3u81 PDBsum]</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=3u81 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u81 OCA], [http://pdbe.org/3u81 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3u81 RCSB], [http://www.ebi.ac.uk/pdbsum/3u81 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3u81 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 19:		Line 20:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 3u81" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 26:		Line 28:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Buffalo rat]]
	[[Category: Catechol O-methyltransferase]]		[[Category: Catechol O-methyltransferase]]
-	[[Category: Rattus norvegicus]]
	[[Category: Benz, J]]		[[Category: Benz, J]]
	[[Category: Ehler, A]]		[[Category: Ehler, A]]

OCA at 14:01, 24 December 2014

OCA — Wed, 24 Dec 2014 14:01:20 GMT

←Older revision		Revision as of 14:01, 24 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3u81]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U81 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3U81 FirstGlance]. <br>		<table><tr><td colspan='2'>[[3u81]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U81 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3U81 FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=SAH:S-ADENOSYL-L-HOMOCYSTEINE'>SAH</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=SAH:S-ADENOSYL-L-HOMOCYSTEINE'>SAH</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3s68\|3s68]], [[3r6t\|3r6t]], [[3nwb\|3nwb]], [[3nwe\|3nwe]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3s68\|3s68]], [[3r6t\|3r6t]], [[3nwb\|3nwb]], [[3nwe\|3nwe]]</td></tr>
-	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Comt ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10116 Rattus norvegicus])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Comt ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10116 Rattus norvegicus])</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Catechol_O-methyltransferase Catechol O-methyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.6 2.1.1.6] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Catechol_O-methyltransferase Catechol O-methyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.6 2.1.1.6] </span></td></tr>
-	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3u81 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u81 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3u81 RCSB], [http://www.ebi.ac.uk/pdbsum/3u81 PDBsum]</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=3u81 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u81 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3u81 RCSB], [http://www.ebi.ac.uk/pdbsum/3u81 PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/COMT_RAT COMT_RAT]] Catalyzes the O-methylation, and thereby the inactivation, of catecholamine neurotransmitters and catechol hormones. Also shortens the biological half-lives of certain neuroactive drugs, like L-DOPA, alpha-methyl DOPA and isoproterenol.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 26:		Line 28:
	[[Category: Catechol O-methyltransferase]]		[[Category: Catechol O-methyltransferase]]
	[[Category: Rattus norvegicus]]		[[Category: Rattus norvegicus]]
-	[[Category: Benz, J.]]	+	[[Category: Benz, J]]
-	[[Category: Ehler, A.]]	+	[[Category: Ehler, A]]
-	[[Category: Rudolph, M G.]]	+	[[Category: Rudolph, M G]]
-	[[Category: Schlatter, D.]]	+	[[Category: Schlatter, D]]
-	[[Category: Stihle, M.]]	+	[[Category: Stihle, M]]
	[[Category: Methyltransferase]]		[[Category: Methyltransferase]]
	[[Category: Neurotransmitter degradation]]		[[Category: Neurotransmitter degradation]]
	[[Category: Transferase-transferase inhibitor complex]]		[[Category: Transferase-transferase inhibitor complex]]

OCA at 09:14, 11 June 2014

OCA — Wed, 11 Jun 2014 09:14:58 GMT

←Older revision		Revision as of 09:14, 11 June 2014
Line 1:		Line 1:
-	[[~~Image:~~3u81.~~png~~\|~~left~~\|~~200px~~]]	+	==Crystal structure of a SAH-bound semi-holo form of rat Catechol-O-methyltransferase==
		+	<StructureSection load='3u81' size='340' side='right' caption='[[3u81]], [[Resolution\|resolution]] 1.13Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3u81]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U81 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3U81 FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=SAH:S-ADENOSYL-L-HOMOCYSTEINE'>SAH</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3s68\|3s68]], [[3r6t\|3r6t]], [[3nwb\|3nwb]], [[3nwe\|3nwe]]</td></tr>
		+	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Comt ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10116 Rattus norvegicus])</td></tr>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Catechol_O-methyltransferase Catechol O-methyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.6 2.1.1.6] </span></td></tr>
		+	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3u81 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u81 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3u81 RCSB], [http://www.ebi.ac.uk/pdbsum/3u81 PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The biological activity of catechol neurotransmitters such as dopamine in the synapse is modulated by transporters and enzymes. Catechol-O-methyltransferase (COMT; EC 2.1.1.6) inactivates neurotransmitters by catalyzing the transfer of a methyl group from S-adenosylmethionine to catechols in the presence of Mg(2). This pathway also inactivates L-DOPA, the standard therapeutic for Parkinson's disease. Depletion of catechol neurotransmitters in the prefrontal cortex has been linked to schizophrenia. The inhibition of COMT therefore promises improvements in the treatment of these diseases. The concept of bisubstrate inhibitors for COMT has been described previously. Here, ribose-modified bisubstrate inhibitors were studied. Three high-resolution crystal structures of COMT in complex with novel ribose-modified bisubstrate inhibitors confirmed the predicted binding mode but displayed subtle alterations at the ribose-binding site. The high affinity of the inhibitors can be convincingly rationalized from the structures, which document the possibility of removing and/or replacing the ribose 3'-hydroxyl group and provide a framework for further inhibitor design.

-	~~{{STRUCTURE_3u81\| PDB=3u81 \| SCENE= }}~~	+	Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors.,Ellermann M, Lerner C, Burgy G, Ehler A, Bissantz C, Jakob-Roetne R, Paulini R, Allemann O, Tissot H, Grunstein D, Stihle M, Diederich F, Rudolph MG Acta Crystallogr D Biol Crystallogr. 2012 Mar;68(Pt 3):253-60. Epub 2012 Feb 14. PMID:22349227<ref>PMID:22349227</ref>

-	~~===Crystal structure of~~ a ~~SAH-bound semi-holo form~~ of ~~rat Catechol-O-methyltransferase===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>

-	~~{{ABSTRACT_PUBMED_22349227}}~~	+	==See Also==
-		+	*[[Catechol O-methyltransferase\|Catechol O-methyltransferase]]
-	==~~About this Structure~~==	+	== References ==
-	[[~~3u81~~]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U81 OCA].	+	<references/>
-		+	__TOC__
-	==~~Reference~~==	+	</StructureSection>
-	<~~ref group="xtra">PMID:022349227<~~/~~ref~~><~~references group="xtra"~~/>	+
	[[Category: Catechol O-methyltransferase]]		[[Category: Catechol O-methyltransferase]]
	[[Category: Rattus norvegicus]]		[[Category: Rattus norvegicus]]

OCA at 10:25, 8 August 2012

OCA — Wed, 08 Aug 2012 10:25:08 GMT

←Older revision		Revision as of 10:25, 8 August 2012
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	[[Image:3u81.png\|left\|200px]]		[[Image:3u81.png\|left\|200px]]

-	<!--
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	{{STRUCTURE_3u81\| PDB=3u81 \| SCENE= }}		{{STRUCTURE_3u81\| PDB=3u81 \| SCENE= }}

	===Crystal structure of a SAH-bound semi-holo form of rat Catechol-O-methyltransferase===		===Crystal structure of a SAH-bound semi-holo form of rat Catechol-O-methyltransferase===

-
-	<!--
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	{{ABSTRACT_PUBMED_22349227}}		{{ABSTRACT_PUBMED_22349227}}

OCA at 05:14, 23 May 2012

OCA — Wed, 23 May 2012 05:14:43 GMT

←Older revision		Revision as of 05:14, 23 May 2012
Line 25:		Line 25:
	[[Category: Catechol O-methyltransferase]]		[[Category: Catechol O-methyltransferase]]
	[[Category: Rattus norvegicus]]		[[Category: Rattus norvegicus]]
		+	[[Category: Benz, J.]]
		+	[[Category: Ehler, A.]]
	[[Category: Rudolph, M G.]]		[[Category: Rudolph, M G.]]
		+	[[Category: Schlatter, D.]]
		+	[[Category: Stihle, M.]]
	[[Category: Methyltransferase]]		[[Category: Methyltransferase]]
	[[Category: Neurotransmitter degradation]]		[[Category: Neurotransmitter degradation]]
	[[Category: Transferase-transferase inhibitor complex]]		[[Category: Transferase-transferase inhibitor complex]]

OCA at 06:16, 11 April 2012

OCA — Wed, 11 Apr 2012 06:16:02 GMT

←Older revision		Revision as of 06:16, 11 April 2012
Line 11:		Line 11:
	===Crystal structure of a SAH-bound semi-holo form of rat Catechol-O-methyltransferase===		===Crystal structure of a SAH-bound semi-holo form of rat Catechol-O-methyltransferase===

		+
		+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_22349227}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 22349227 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_22349227}}

	==About this Structure==		==About this Structure==
	[[3u81]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U81 OCA].		[[3u81]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U81 OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:022349227</ref><references group="xtra"/>
	[[Category: Catechol O-methyltransferase]]		[[Category: Catechol O-methyltransferase]]
	[[Category: Rattus norvegicus]]		[[Category: Rattus norvegicus]]

OCA at 06:47, 22 February 2012

OCA — Wed, 22 Feb 2012 06:47:03 GMT

←Older revision		Revision as of 06:47, 22 February 2012
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:3u81.png\|left\|200px]]

-	The ~~entry 3u81~~ is ~~ON HOLD~~ ~~until Paper Publication~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_3u81", creates the "Structure Box" on the page.
		+	You may change the PDB parameter (which sets the PDB file loaded into the applet)
		+	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
		+	or leave the SCENE parameter empty for the default display.
		+	-->
		+	{{STRUCTURE_3u81\| PDB=3u81 \| SCENE= }}

-	~~Authors: Rudolph, M.G.~~	+	===Crystal structure of a SAH-bound semi-holo form of rat Catechol-O-methyltransferase===

-	~~Description~~:	+
		+	==About this Structure==
		+	[[3u81]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U81 OCA].
		+	[[Category: Catechol O-methyltransferase]]
		+	[[Category: Rattus norvegicus]]
		+	[[Category: Rudolph, M G.]]
		+	[[Category: Methyltransferase]]
		+	[[Category: Neurotransmitter degradation]]
		+	[[Category: Transferase-transferase inhibitor complex]]