4xuc: Difference between revisions

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'''Unreleased structure'''


The entry 4xuc is ON HOLD  until Paper Publication
==Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd18 (1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one)==
<StructureSection load='4xuc' size='340' side='right'caption='[[4xuc]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[4xuc]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4XUC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4XUC FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.8&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=43G:1-(BIPHENYL-3-YL)-3-HYDROXYPYRIDIN-4(1H)-ONE'>43G</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=SAM:S-ADENOSYLMETHIONINE'>SAM</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=4xuc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xuc OCA], [https://pdbe.org/4xuc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4xuc RCSB], [https://www.ebi.ac.uk/pdbsum/4xuc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4xuc ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/COMT_HUMAN COMT_HUMAN] 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.


Authors: Allison, T., Wolkenberg, S., Sanders, J.M., Soisson, S.M.
==See Also==
 
*[[Catechol O-methyltransferase 3D structures|Catechol O-methyltransferase 3D structures]]
Description: Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd18 (1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one)
__TOC__
[[Category: Unreleased Structures]]
</StructureSection>
[[Category: Allison, T]]
[[Category: Homo sapiens]]
[[Category: Sanders, J.M]]
[[Category: Large Structures]]
[[Category: Soisson, S.M]]
[[Category: Allison T]]
[[Category: Wolkenberg, S]]
[[Category: Sanders JM]]
[[Category: Soisson SM]]
[[Category: Wolkenberg S]]

Latest revision as of 16:01, 1 March 2024

Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd18 (1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one)Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd18 (1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one)

Structural highlights

4xuc is a 1 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 1.8Å
Ligands:, , ,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

COMT_HUMAN 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.

See Also

4xuc, resolution 1.80Å

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