3qk5

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==Crystal structure of fatty acid amide hydrolase with small molecule inhibitor==
==Crystal structure of fatty acid amide hydrolase with small molecule inhibitor==
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<StructureSection load='3qk5' size='340' side='right' caption='[[3qk5]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
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<StructureSection load='3qk5' size='340' side='right'caption='[[3qk5]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3qk5]] is a 2 chain structure with 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=3QK5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QK5 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3qk5]] is a 2 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=3QK5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3QK5 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=QK5:(3-{(3R)-1-[4-(1-BENZOTHIOPHEN-2-YL)PYRIMIDIN-2-YL]PIPERIDIN-3-YL}-2-METHYL-1H-PYRROLO[2,3-B]PYRIDIN-1-YL)ACETONITRILE'>QK5</scene></td></tr>
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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]] 2.2&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3qj8|3qj8]], [[3qj9|3qj9]], [[3qkv|3qkv]]</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=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=QK5:(3-{(3R)-1-[4-(1-BENZOTHIOPHEN-2-YL)PYRIMIDIN-2-YL]PIPERIDIN-3-YL}-2-METHYL-1H-PYRROLO[2,3-B]PYRIDIN-1-YL)ACETONITRILE'>QK5</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">Faah, Faah1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10116 Rattus norvegicus])</td></tr>
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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=3qk5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qk5 OCA], [https://pdbe.org/3qk5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3qk5 RCSB], [https://www.ebi.ac.uk/pdbsum/3qk5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3qk5 ProSAT]</span></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Fatty_acid_amide_hydrolase Fatty acid amide hydrolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.1.99 3.5.1.99] </span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3qk5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qk5 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3qk5 RCSB], [http://www.ebi.ac.uk/pdbsum/3qk5 PDBsum]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/FAAH1_RAT FAAH1_RAT]] Degrades bioactive fatty acid amides like oleamide, the endogenous cannabinoid, anandamide and myristic amide to their corresponding acids, thereby serving to terminate the signaling functions of these molecules. Hydrolyzes polyunsaturated substrate anandamide preferentially as compared to monounsaturated substrates (By similarity).
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[https://www.uniprot.org/uniprot/FAAH1_RAT FAAH1_RAT] Degrades bioactive fatty acid amides like oleamide, the endogenous cannabinoid, anandamide and myristic amide to their corresponding acids, thereby serving to terminate the signaling functions of these molecules. Hydrolyzes polyunsaturated substrate anandamide preferentially as compared to monounsaturated substrates (By similarity).
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Starting from a series of ureas that were determined to be mechanism-based inhibitors of FAAH, several spirocyclic ureas and lactams were designed and synthesized. These efforts identified a series of novel, noncovalent FAAH inhibitors with in vitro potency comparable to known covalent FAAH inhibitors. The mechanism of action for these compounds was determined through a combination of SAR and co-crystallography with rat FAAH.
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Identification of potent, noncovalent fatty acid amide hydrolase (FAAH) inhibitors.,Gustin DJ, Ma Z, Min X, Li Y, Hedberg C, Guimaraes C, Porter AC, Lindstrom M, Lester-Zeiner D, Xu G, Carlson TJ, Xiao S, Meleza C, Connors R, Wang Z, Kayser F Bioorg Med Chem Lett. 2011 Apr 15;21(8):2492-6. Epub 2011 Feb 17. PMID:21392988<ref>PMID:21392988</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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==See Also==
==See Also==
*[[Fatty acid amide hydrolase|Fatty acid amide hydrolase]]
*[[Fatty acid amide hydrolase|Fatty acid amide hydrolase]]
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== References ==
 
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<references/>
 
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Fatty acid amide hydrolase]]
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[[Category: Large Structures]]
[[Category: Rattus norvegicus]]
[[Category: Rattus norvegicus]]
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[[Category: Min, X]]
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[[Category: Min X]]
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[[Category: Walker, N P.C]]
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[[Category: Walker NPC]]
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[[Category: Wang, Z]]
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[[Category: Wang Z]]
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[[Category: Faah]]
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[[Category: Fatty-acid amide hydrolase]]
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[[Category: Hydrolase-hydrolase inhibitor complex]]
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[[Category: Protein-inhibitor complex]]
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Current revision

Crystal structure of fatty acid amide hydrolase with small molecule inhibitor

PDB ID 3qk5

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