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==Crystal Structure of HTLV protease complexed with the inhibitor, KNI-10673== | ==Crystal Structure of HTLV protease complexed with the inhibitor, KNI-10673== | ||
<StructureSection load='3liq' size='340' side='right' caption='[[3liq]], [[Resolution|resolution]] 2.29Å' scene=''> | <StructureSection load='3liq' size='340' side='right'caption='[[3liq]], [[Resolution|resolution]] 2.29Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[3liq]] is a 2 chain structure with sequence from [ | <table><tr><td colspan='2'>[[3liq]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Htlv-1 Htlv-1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3LIQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3LIQ FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=E14:(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-(2-METHYLPROPYL)-1,3-THIAZOLIDINE-4-CARBOXAMIDE'>E14</scene></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=E14:(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-(2-METHYLPROPYL)-1,3-THIAZOLIDINE-4-CARBOXAMIDE'>E14</scene></td></tr> | ||
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2b7f|2b7f]], [[3lit|3lit]], [[3liv|3liv]], [[3lix|3lix]], [[3liy|3liy]]</td></tr> | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2b7f|2b7f]], [[3lit|3lit]], [[3liv|3liv]], [[3lix|3lix]], [[3liy|3liy]]</div></td></tr> | ||
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">prt ([ | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">prt ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11908 HTLV-1])</td></tr> | ||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3liq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3liq OCA], [https://pdbe.org/3liq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3liq RCSB], [https://www.ebi.ac.uk/pdbsum/3liq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3liq ProSAT]</span></td></tr> | ||
</table> | </table> | ||
== Evolutionary Conservation == | == Evolutionary Conservation == | ||
| Line 13: | Line 13: | ||
Check<jmol> | Check<jmol> | ||
<jmolCheckbox> | <jmolCheckbox> | ||
<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/li/3liq_consurf.spt"</scriptWhenChecked> | <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/li/3liq_consurf.spt"</scriptWhenChecked> | ||
<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked> | <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked> | ||
<text>to colour the structure by Evolutionary Conservation</text> | <text>to colour the structure by Evolutionary Conservation</text> | ||
| Line 28: | Line 28: | ||
</div> | </div> | ||
<div class="pdbe-citations 3liq" style="background-color:#fffaf0;"></div> | <div class="pdbe-citations 3liq" style="background-color:#fffaf0;"></div> | ||
==See Also== | |||
*[[Virus protease 3D structures|Virus protease 3D structures]] | |||
== References == | == References == | ||
<references/> | <references/> | ||
| Line 33: | Line 36: | ||
</StructureSection> | </StructureSection> | ||
[[Category: Htlv-1]] | [[Category: Htlv-1]] | ||
[[Category: Large Structures]] | |||
[[Category: Gustchina, A]] | [[Category: Gustchina, A]] | ||
[[Category: Kiso, Y]] | [[Category: Kiso, Y]] | ||
Revision as of 15:35, 13 October 2021
Crystal Structure of HTLV protease complexed with the inhibitor, KNI-10673Crystal Structure of HTLV protease complexed with the inhibitor, KNI-10673
Structural highlights
Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMedHuman 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[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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