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3lit
From Proteopedia
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| - | '''Unreleased structure''' | ||
| - | The | + | ==The crystal structure of htlv protease complexed with the inhibitor KNI-10681== |
| + | <StructureSection load='3lit' size='340' side='right'caption='[[3lit]], [[Resolution|resolution]] 2.19Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[3lit]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Human_T-cell_leukemia_virus_type_I Human T-cell leukemia virus type I]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3LIT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3LIT 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]] 2.19Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=E15:(4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-AZANYL-2-PHENYL-ETHANOYL]AMINO]-3,3-DIMETHYL-BUTANOYL]AMINO]-2-HYDROXY-4-PHENYL-BUTANOYL]-5,5-DIMETHYL-N-[(2R)-3-METHYLBUTAN-2-YL]-1,3-THIAZOLIDINE-4-CARBOXAMIDE'>E15</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=3lit FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3lit OCA], [https://pdbe.org/3lit PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3lit RCSB], [https://www.ebi.ac.uk/pdbsum/3lit PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3lit ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/Q82134_9DELA Q82134_9DELA] | ||
| + | == Evolutionary Conservation == | ||
| + | [[Image:Consurf_key_small.gif|200px|right]] | ||
| + | Check<jmol> | ||
| + | <jmolCheckbox> | ||
| + | <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/li/3lit_consurf.spt"</scriptWhenChecked> | ||
| + | <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked> | ||
| + | <text>to colour the structure by Evolutionary Conservation</text> | ||
| + | </jmolCheckbox> | ||
| + | </jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3lit ConSurf]. | ||
| + | <div style="clear:both"></div> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Human T-cell leukemia virus type 1 (HTLV-1) is a retrovirus associated with several serious diseases, such as adult T-cell leukemia and tropical spastic paraparesis/myelopathy. For a number of years, the protease (PR) encoded by HTLV-1 has been a target for designing antiviral drugs, but that effort was hampered by limited available structural information. We report a high-resolution crystal structure of HTLV-1 PR complexed with a statine-containing inhibitor, a significant improvement over the previously available moderate-resolution structure. We also report crystal structures of the complexes of HTLV-1 PR with five different inhibitors that are more compact and more potent. A detailed study of structure-activity relationships was performed to interpret in detail the influence of the polar and hydrophobic interactions between the inhibitors and the protease. | ||
| - | + | Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease.,Satoh T, Li M, Nguyen JT, Kiso Y, Gustchina A, Wlodawer A J Mol Biol. 2010 Aug 27;401(4):626-41. Epub 2010 Jun 30. PMID:20600105<ref>PMID:20600105</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| + | </div> | ||
| + | <div class="pdbe-citations 3lit" style="background-color:#fffaf0;"></div> | ||
| - | + | ==See Also== | |
| + | *[[Virus protease 3D structures|Virus protease 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Human T-cell leukemia virus type I]] | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Gustchina A]] | ||
| + | [[Category: Kiso Y]] | ||
| + | [[Category: Li M]] | ||
| + | [[Category: Nguyen J]] | ||
| + | [[Category: Satoh T]] | ||
| + | [[Category: Wlodawer A]] | ||
Current revision
The crystal structure of htlv protease complexed with the inhibitor KNI-10681
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