3lit: Difference between revisions
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New page: '''Unreleased structure''' The entry 3lit is ON HOLD Authors: Satoh, Tadashi, Li, Mi, Nguyen, Jeffrey, Kiso, Yoshiaki, Wlodawer, Alex, Gustchina, Alla Description: The crystal structur... |
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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]] | |||
