1jr4

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[[Image:1jr4.jpg|left|200px]]
 
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{{Structure
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==CATECHOL O-METHYLTRANSFERASE BISUBSTRATE-INHIBITOR COMPLEX==
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|PDB= 1jr4 |SIZE=350|CAPTION= <scene name='initialview01'>1jr4</scene>, resolution 2.63&Aring;
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<StructureSection load='1jr4' size='340' side='right'caption='[[1jr4]], [[Resolution|resolution]] 2.63&Aring;' scene=''>
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|SITE=
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=CL4:N-{3-[5-(6-AMINO-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YL]-ALLYL}-2,3-DIHYDROXY-5-NITRO-BENZAMIDE'>CL4</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>
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<table><tr><td colspan='2'>[[1jr4]] 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=1JR4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1JR4 FirstGlance]. <br>
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|ACTIVITY= <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>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.63&#8491;</td></tr>
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|GENE=
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL4:N-{3-[5-(6-AMINO-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YL]-ALLYL}-2,3-DIHYDROXY-5-NITRO-BENZAMIDE'>CL4</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
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|DOMAIN=
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1jr4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1jr4 OCA], [https://pdbe.org/1jr4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1jr4 RCSB], [https://www.ebi.ac.uk/pdbsum/1jr4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1jr4 ProSAT]</span></td></tr>
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|RELATEDENTRY=[[1vid|1VID]]
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</table>
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1jr4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1jr4 OCA], [http://www.ebi.ac.uk/pdbsum/1jr4 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1jr4 RCSB]</span>
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== Function ==
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}}
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[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.
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/jr/1jr4_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1jr4 ConSurf].
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<div style="clear:both"></div>
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'''CATECHOL O-METHYLTRANSFERASE BISUBSTRATE-INHIBITOR COMPLEX'''
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==See Also==
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*[[Catechol O-methyltransferase 3D structures|Catechol O-methyltransferase 3D structures]]
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__TOC__
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==About this Structure==
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</StructureSection>
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1JR4 is a [[Single protein]] structure of 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=1JR4 OCA].
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[[Category: Large Structures]]
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==Reference==
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X-ray Crystal Structure of a Bisubstrate Inhibitor Bound to the Enzyme Catechol-O-methyltransferase: A Dramatic Effect of Inhibitor Preorganization on Binding Affinity We thank F. Hoffmann-La Roche for generous support of this work. We are grateful to P. Malherbe for the cloning of COMT, P. Caspers for the expression of COMT, A. Cesura for enzyme purification, B. Wipf for fermentation, and H. W. Lahm for sequencing. , Lerner C, Ruf A, Gramlich V, Masjost B, Zurcher G, Jakob-Roetne R, Borroni E, Diederich F, Angew Chem Int Ed Engl. 2001 Nov 5;40(21):4040-4042. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/12404486 12404486]
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[[Category: Catechol O-methyltransferase]]
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[[Category: Rattus norvegicus]]
[[Category: Rattus norvegicus]]
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[[Category: Single protein]]
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[[Category: Ruf A]]
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[[Category: Ruf, A.]]
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[[Category: Stihle M]]
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[[Category: Stihle, M.]]
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[[Category: bisubstrate inhibitor]]
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[[Category: methyltransferase]]
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[[Category: neurotransmitter degradation]]
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[[Category: transferase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:37:49 2008''
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Current revision

CATECHOL O-METHYLTRANSFERASE BISUBSTRATE-INHIBITOR COMPLEX

PDB ID 1jr4

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