5mim

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'''Unreleased structure'''
 
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The entry 5mim is ON HOLD until Paper Publication
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==Xray structure of human furin bound with the 2,5-dideoxystreptamine derived small molecule inhibitor 1n==
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<StructureSection load='5mim' size='340' side='right' caption='[[5mim]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[5mim]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5MIM OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5MIM 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=1N:1-[(1~{R},2~{R},4~{S},5~{S})-2,4-BIS(4-CARBAMIMIDAMIDOPHENOXY)-5-[(4-CARBAMIMIDAMIDOPHENYL)AMINO]CYCLOHEXYL]GUANIDINE'>1N</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></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/Furin Furin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.75 3.4.21.75] </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=5mim FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5mim OCA], [http://pdbe.org/5mim PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5mim RCSB], [http://www.ebi.ac.uk/pdbsum/5mim PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5mim ProSAT]</span></td></tr>
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</table>
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== Function ==
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[[http://www.uniprot.org/uniprot/FURIN_HUMAN FURIN_HUMAN]] Furin is likely to represent the ubiquitous endoprotease activity within constitutive secretory pathways and capable of cleavage at the RX(K/R)R consensus motif.<ref>PMID:7690548</ref>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Proprotein convertases (PCs) represent highly selective serine proteases that activate their substrates upon proteolytic cleavage. Their inhibition is a promising strategy for the treatment of several pathologies including cancer, atherosclerosis, hypercholesterolaemia, and infectious diseases. Here, we present the first experimental complex of furin with a non-substrate-like small molecule inhibitor, and the X-ray structure of the enzyme complexed to the small molecule inhibitor 1 at 1.9 A resolution. Two molecules of inhibitor 1 were found to interact with furin. One is anchored at the S4 pocket of the enzyme and interferes directly with the conformation and function of the catalytic triade; the other molecule shows weaker binding and interacts with a distant, less conserved region of furin. The observed binding modes represent a new inhibition strategy of furin and imply the possibility to attain specificity among the PCs providing an innovative starting point of structure guided inhibitor development for furin.
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Authors:
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Structural Studies Revealed Active Site Distortions of Human Furin by a Small Molecule Inhibitor.,Dahms SO, Jiao GS, Than ME ACS Chem Biol. 2017 Apr 17. doi: 10.1021/acschembio.6b01110. PMID:28402100<ref>PMID:28402100</ref>
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Description:
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[Category: Unreleased Structures]]
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</div>
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<div class="pdbe-citations 5mim" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Furin]]
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[[Category: Dahms, S O]]
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[[Category: Guan-Sheng, J]]
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[[Category: Than, M E]]
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[[Category: Complex]]
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[[Category: Hydrolase]]
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[[Category: Inhibitor]]
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[[Category: Proprotein convertase]]
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[[Category: Protease]]

Revision as of 12:54, 10 May 2017

Xray structure of human furin bound with the 2,5-dideoxystreptamine derived small molecule inhibitor 1n

5mim, resolution 1.90Å

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