4dm3
From Proteopedia
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| - | [[Image:4dm3.png|left|200px]] | ||
| - | + | ==Crystal structure of human PNMT in complex adohcy, resorcinol and imidazole== | |
| + | <StructureSection load='4dm3' size='340' side='right'caption='[[4dm3]], [[Resolution|resolution]] 2.40Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4dm3]] 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=4DM3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4DM3 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]] 2.4001Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=RCO:RESORCINOL'>RCO</scene>, <scene name='pdbligand=SAH:S-ADENOSYL-L-HOMOCYSTEINE'>SAH</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=4dm3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4dm3 OCA], [https://pdbe.org/4dm3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4dm3 RCSB], [https://www.ebi.ac.uk/pdbsum/4dm3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4dm3 ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/PNMT_HUMAN PNMT_HUMAN] Converts noradrenaline to adrenaline. | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | The aim of fragment-based drug design (FBDD) is to identify molecular fragments that bind to alternate subsites within a given binding pocket leading to cooperative binding when linked. In this study, the binding of fragments to human phenylethanolamine N-methyltransferase is used to illustrate how (a) current protocols may fail to detect fragments that bind cooperatively, (b) theoretical approaches can be used to validate potential hits, and (c) apparent false positives obtained when screening against cocktails of fragments may in fact indicate promising leads. | ||
| - | + | Missing fragments: detecting cooperative binding in fragment-based drug design.,Nair PC, Malde AK, Drinkwater N, Mark AE ACS Med Chem Lett. 2012 Feb 14;3(4):322-6. doi: 10.1021/ml300015u. eCollection, 2012 Apr 12. PMID:24900472<ref>PMID:24900472</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | + | <div class="pdbe-citations 4dm3" style="background-color:#fffaf0;"></div> | |
| - | + | ||
==See Also== | ==See Also== | ||
*[[Phenylethanolamine N-methyltransferase|Phenylethanolamine N-methyltransferase]] | *[[Phenylethanolamine N-methyltransferase|Phenylethanolamine N-methyltransferase]] | ||
| - | + | == References == | |
| - | == | + | <references/> |
| - | < | + | __TOC__ |
| + | </StructureSection> | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
| - | [[Category: | + | [[Category: Large Structures]] |
| - | [[Category: Malde | + | [[Category: Malde AK]] |
| - | [[Category: Mark | + | [[Category: Mark AE]] |
| - | [[Category: Nair | + | [[Category: Nair PC]] |
| - | + | ||
Current revision
Crystal structure of human PNMT in complex adohcy, resorcinol and imidazole
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