1n7j

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[[Image:1n7j.jpg|left|200px]]
 
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{{Structure
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==The structure of Phenylethanolamine N-methyltransferase in complex with S-adenosylhomocysteine and an iodinated inhibitor==
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|PDB= 1n7j |SIZE=350|CAPTION= <scene name='initialview01'>1n7j</scene>, resolution 2.70&Aring;
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<StructureSection load='1n7j' size='340' side='right'caption='[[1n7j]], [[Resolution|resolution]] 2.70&Aring;' scene=''>
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|SITE=
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=SAH:S-ADENOSYL-L-HOMOCYSTEINE'>SAH</scene> and <scene name='pdbligand=IDI:7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE'>IDI</scene>
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<table><tr><td colspan='2'>[[1n7j]] is a 2 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=1N7J OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1N7J FirstGlance]. <br>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Phenylethanolamine_N-methyltransferase Phenylethanolamine N-methyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.28 2.1.1.28]
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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]] 2.7&#8491;</td></tr>
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|GENE= PNMT OR PENT ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=IDI:7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE'>IDI</scene>, <scene name='pdbligand=SAH:S-ADENOSYL-L-HOMOCYSTEINE'>SAH</scene></td></tr>
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}}
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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=1n7j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1n7j OCA], [https://pdbe.org/1n7j PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1n7j RCSB], [https://www.ebi.ac.uk/pdbsum/1n7j PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1n7j ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/PNMT_HUMAN PNMT_HUMAN] Converts noradrenaline to adrenaline.
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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/n7/1n7j_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=1n7j ConSurf].
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<div style="clear:both"></div>
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'''The structure of Phenylethanolamine N-methyltransferase in complex with S-adenosylhomocysteine and an iodinated inhibitor'''
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==See Also==
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*[[Phenylethanolamine N-methyltransferase|Phenylethanolamine N-methyltransferase]]
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__TOC__
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==Overview==
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</StructureSection>
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The crystal structures of human phenylethanolamine N-methyltransferase in complex with S-adenosyl-l-homocysteine (7, AdoHcy) and either 7-iodo-1,2,3,4-tetrahydroisoquinoline (2) or 8,9-dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine (3, LY134046) were determined and compared with the structure of the enzyme complex with 7 and 7-aminosulfonyl-1,2,3,4-tetrahydroisoquinoline (1, SK&amp;F 29661). The enzyme is able to accommodate a variety of chemically disparate functional groups on the aromatic ring of the inhibitors through adaptation of the binding pocket for this substituent and by subtle adjustments of the orientation of the inhibitors within the relatively planar binding site. In addition, the interactions formed by the amine nitrogen of all three inhibitors reinforce the hypothesis that this functional group mimics the beta-hydroxyl of norepinephrine rather than the amine. These studies provide further clues for the development of improved inhibitors for use as pharmacological probes.
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==Disease==
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Known diseases associated with this structure: Hypertension, essential, 145500 (1) OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=171190 171190]]
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==About this Structure==
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1N7J is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1N7J OCA].
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==Reference==
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Molecular recognition of sub-micromolar inhibitors by the epinephrine-synthesizing enzyme phenylethanolamine N-methyltransferase., McMillan FM, Archbold J, McLeish MJ, Caine JM, Criscione KR, Grunewald GL, Martin JL, J Med Chem. 2004 Jan 1;47(1):37-44. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/14695818 14695818]
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[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Phenylethanolamine N-methyltransferase]]
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[[Category: Large Structures]]
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[[Category: Single protein]]
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[[Category: Archbold J]]
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[[Category: Archbold, J.]]
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[[Category: Caine JM]]
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[[Category: Caine, J M.]]
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[[Category: Criscione KR]]
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[[Category: Criscione, K R.]]
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[[Category: Grunewald GL]]
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[[Category: Grunewald, G L.]]
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[[Category: Martin JL]]
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[[Category: Martin, J L.]]
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[[Category: McLeish MJ]]
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[[Category: McLeish, M J.]]
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[[Category: McMillan FM]]
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[[Category: McMillan, F M.]]
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[[Category: IDI]]
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[[Category: SAH]]
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[[Category: adrenaline]]
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[[Category: catecholamine]]
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[[Category: epinephrine]]
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[[Category: methyltransferase]]
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[[Category: s-adenolsylhomocysteine]]
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[[Category: s-adenosylmethionine]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 12:53:12 2008''
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Current revision

The structure of Phenylethanolamine N-methyltransferase in complex with S-adenosylhomocysteine and an iodinated inhibitor

PDB ID 1n7j

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