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==Crystal Structure of COMT in complex with 5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole==
==Crystal Structure of COMT in complex with 5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole==
<StructureSection load='5k0l' size='340' side='right' caption='[[5k0l]], [[Resolution|resolution]] 2.02&Aring;' scene=''>
<StructureSection load='5k0l' size='340' side='right'caption='[[5k0l]], [[Resolution|resolution]] 2.02&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[5k0l]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5K0L OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5K0L FirstGlance]. <br>
<table><tr><td colspan='2'>[[5k0l]] is a 4 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=5K0L OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5K0L FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6P2:5-{3-[1-(4-METHOXYPHENYL)CYCLOPROPYL]-1H-PYRAZOL-5-YL}-2,4-DIMETHYL-1,3-THIAZOLE'>6P2</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NHE:2-[N-CYCLOHEXYLAMINO]ETHANE+SULFONIC+ACID'>NHE</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]] 2.02&#8491;</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='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6P2:5-{3-[1-(4-METHOXYPHENYL)CYCLOPROPYL]-1H-PYRAZOL-5-YL}-2,4-DIMETHYL-1,3-THIAZOLE'>6P2</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NHE:2-[N-CYCLOHEXYLAMINO]ETHANE+SULFONIC+ACID'>NHE</scene></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=5k0l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5k0l OCA], [http://pdbe.org/5k0l PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5k0l RCSB], [http://www.ebi.ac.uk/pdbsum/5k0l PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5k0l 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=5k0l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5k0l OCA], [https://pdbe.org/5k0l PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5k0l RCSB], [https://www.ebi.ac.uk/pdbsum/5k0l PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5k0l 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 ==
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</div>
</div>
<div class="pdbe-citations 5k0l" style="background-color:#fffaf0;"></div>
<div class="pdbe-citations 5k0l" style="background-color:#fffaf0;"></div>
==See Also==
*[[Catechol O-methyltransferase 3D structures|Catechol O-methyltransferase 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Catechol O-methyltransferase]]
[[Category: Large Structures]]
[[Category: Ehler, A]]
[[Category: Rattus norvegicus]]
[[Category: RODRIGUEZ-SARMIENTO, R M]]
[[Category: Ehler A]]
[[Category: Rudolph, M G]]
[[Category: Rodriguez-Sarmiento RM]]
[[Category: Catechol]]
[[Category: Rudolph MG]]
[[Category: Methyltransferase]]
[[Category: Neurotransmitter degradation]]
[[Category: Transferase]]

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