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3p8e

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[[Image:3p8e.png|left|200px]]
 
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==Crystal structure of human DIMETHYLARGININE DIMETHYLAMINOHYDROLASE-1 (DDAH-1) covalently bound with N5-(1-iminopentyl)-L-ornithine==
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The line below this paragraph, containing "STRUCTURE_3p8e", creates the "Structure Box" on the page.
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<StructureSection load='3p8e' size='340' side='right'caption='[[3p8e]], [[Resolution|resolution]] 2.49&Aring;' scene=''>
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[3p8e]] 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=3P8E OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3P8E FirstGlance]. <br>
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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]] 2.4946&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=LN7:N~5~-[(1S)-1-AMINOPENTYL]-L-ORNITHINE'>LN7</scene></td></tr>
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{{STRUCTURE_3p8e| PDB=3p8e | SCENE= }}
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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=3p8e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3p8e OCA], [https://pdbe.org/3p8e PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3p8e RCSB], [https://www.ebi.ac.uk/pdbsum/3p8e PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3p8e ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/DDAH1_HUMAN DDAH1_HUMAN] Hydrolyzes N(G),N(G)-dimethyl-L-arginine (ADMA) and N(G)-monomethyl-L-arginine (MMA) which act as inhibitors of NOS. Has therefore a role in the regulation of nitric oxide generation.
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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C-Alkyl amidine analogues of asymmetric N(omega),N(omega)-dimethyl-L-arginine are dual-targeted inhibitors of both human DDAH-1 and nitric oxide (NO) synthase, and provide a promising scaffold for the development of therapeutics to control NO overproduction in a variety of pathologies including septic shock and some cancers. Using a two-part click-chemistry-mediated activity probe, a homologated series of C-alkyl amidines were ranked for their ability to inhibit DDAH-1 within cultured HEK 293T cells. N(5)-(1-Iminopentyl)-L-ornithine was determined to be the most potent compound in vitro (K(d)=7 muM) as well as in cultured cells, and the binding conformation and covalent reversible mode of inhibition was investigated by comparison of interactions made with DDAH-1 and a catalytically inactive C274S variant, as gauged by X-ray crystallography and isothermal titration calorimetry. By interrupting the ability of the inhibitor to form a covalent bond, the contribution of this interaction could be estimated. These results suggest that further stabilization of the covalent adduct is a promising strategy for lead optimization in the design of effective reagents to block NO synthesis.
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===Crystal structure of human DIMETHYLARGININE DIMETHYLAMINOHYDROLASE-1 (DDAH-1) covalently bound with N5-(1-iminopentyl)-L-ornithine===
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Characterization of C-Alkyl Amidines as Bioavailable Covalent Reversible Inhibitors of Human DDAH-1.,Lluis M, Wang Y, Monzingo AF, Fast W, Robertus JD ChemMedChem. 2010 Oct 26. PMID:20979083<ref>PMID:20979083</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 3p8e" style="background-color:#fffaf0;"></div>
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(as it appears on PubMed at http://www.pubmed.gov), where 20979083 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_20979083}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[3p8e]] is a 2 chain structure with 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=3P8E OCA].
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==Reference==
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<ref group="xtra">PMID:20979083</ref><references group="xtra"/>
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[[Category: Dimethylargininase]]
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[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Fast, W.]]
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[[Category: Large Structures]]
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[[Category: Lluis, M.]]
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[[Category: Fast W]]
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[[Category: Monzingo, A F.]]
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[[Category: Lluis M]]
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[[Category: Robertus, J D.]]
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[[Category: Monzingo AF]]
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[[Category: Wang, Y.]]
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[[Category: Robertus JD]]
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[[Category: Wang Y]]

Current revision

Crystal structure of human DIMETHYLARGININE DIMETHYLAMINOHYDROLASE-1 (DDAH-1) covalently bound with N5-(1-iminopentyl)-L-ornithine

PDB ID 3p8e

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