3q3t

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[[Image:3q3t.jpg|left|200px]]
 
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==Alkyl Amine Renin Inhibitors: Filling S1 from S3==
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The line below this paragraph, containing "STRUCTURE_3q3t", creates the "Structure Box" on the page.
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<StructureSection load='3q3t' size='340' side='right'caption='[[3q3t]], [[Resolution|resolution]] 2.60&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'>[[3q3t]] 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=3Q3T OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3Q3T 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]] 2.6&#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=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=RX0:[(1S,3R,4S)-3-AMINO-4-HYDROXYCYCLOPENTYL]{(3R)-3-[(1S)-1-(BIPHENYL-2-YL)-1-HYDROXY-5-METHOXYPENTYL]PIPERIDIN-1-YL}METHANONE'>RX0</scene></td></tr>
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{{STRUCTURE_3q3t| PDB=3q3t | 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=3q3t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3q3t OCA], [https://pdbe.org/3q3t PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3q3t RCSB], [https://www.ebi.ac.uk/pdbsum/3q3t PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3q3t ProSAT]</span></td></tr>
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</table>
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== Disease ==
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[https://www.uniprot.org/uniprot/RENI_HUMAN RENI_HUMAN] Defects in REN are a cause of renal tubular dysgenesis (RTD) [MIM:[https://omim.org/entry/267430 267430]. RTD is an autosomal recessive severe disorder of renal tubular development characterized by persistent fetal anuria and perinatal death, probably due to pulmonary hypoplasia from early-onset oligohydramnios (the Potter phenotype).<ref>PMID:16116425</ref> Defects in REN are the cause of familial juvenile hyperuricemic nephropathy type 2 (HNFJ2) [MIM:[https://omim.org/entry/613092 613092]. It is a renal disease characterized by juvenile onset of hyperuricemia, slowly progressive renal failure and anemia.<ref>PMID:19664745</ref>
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== Function ==
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[https://www.uniprot.org/uniprot/RENI_HUMAN RENI_HUMAN] Renin is a highly specific endopeptidase, whose only known function is to generate angiotensin I from angiotensinogen in the plasma, initiating a cascade of reactions that produce an elevation of blood pressure and increased sodium retention by the kidney.
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Structure-based design led to the discovery of a novel class of renin inhibitors in which an unprecedented phenyl ring filling the S1 site is attached to the phenyl ring filling the S3 pocket. Optimization for several parameters including potency in the presence of human plasma, selectivity against CYP3A4 inhibition and improved rat oral bioavailability led to the identification of 8d which demonstrated antihypertensive efficacy in a transgenic rat model of human hypertension.
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===Alkyl Amine Renin Inhibitors: Filling S1 from S3===
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Biphenyl/diphenyl ether renin inhibitors: Filling the S1 pocket of renin via the S3 pocket.,Yuan J, Simpson RD, Zhao W, Tice CM, Xu Z, Cacatian S, Jia L, Flaherty PT, Guo J, Ishchenko A, Wu Z, McKeever BM, Scott BB, Bukhtiyarov Y, Berbaum J, Panemangalore R, Bentley R, Doe CP, Harrison RK, McGeehan GM, Singh SB, Dillard LW, Baldwin JJ, Claremon DA Bioorg Med Chem Lett. 2011 Aug 15;21(16):4836-43. Epub 2011 Jun 17. PMID:21741239<ref>PMID:21741239</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 3q3t" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_21741239}}, adds the Publication Abstract to the page
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*[[Renin|Renin]]
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(as it appears on PubMed at http://www.pubmed.gov), where 21741239 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_21741239}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[3q3t]] 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=3Q3T OCA].
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==Reference==
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<ref group="xtra">PMID:021741239</ref><references group="xtra"/>
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[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Renin]]
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[[Category: Large Structures]]
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[[Category: McKeever, B.]]
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[[Category: McKeever B]]
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[[Category: Wu, Z.]]
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[[Category: Wu Z]]
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[[Category: Aspartate protease]]
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[[Category: Glycoprotein]]
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[[Category: Hydrolase-hydrolase inhibitor complex]]
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[[Category: Hypertension]]
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[[Category: Renin inhibitor]]
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[[Category: Zymogen]]
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Current revision

Alkyl Amine Renin Inhibitors: Filling S1 from S3

PDB ID 3q3t

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