3liq: Difference between revisions

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[[Image:3liq.png|left|200px]]


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==Crystal Structure of HTLV protease complexed with the inhibitor, KNI-10673==
The line below this paragraph, containing "STRUCTURE_3liq", creates the "Structure Box" on the page.
<StructureSection load='3liq' size='340' side='right'caption='[[3liq]], [[Resolution|resolution]] 2.29&Aring;' scene=''>
You may change the PDB parameter (which sets the PDB file loaded into the applet)
== Structural highlights ==
or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
<table><tr><td colspan='2'>[[3liq]] 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=3LIQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3LIQ FirstGlance]. <br>
or leave the SCENE parameter empty for the default display.
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.29&#8491;</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=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>
{{STRUCTURE_3liq|  PDB=3liq  |  SCENE=  }}
<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>
== 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/3liq_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=3liq 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 Structure of HTLV protease complexed with the inhibitor, KNI-10673===
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&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 3liq" style="background-color:#fffaf0;"></div>


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==See Also==
The line below this paragraph, {{ABSTRACT_PUBMED_20600105}}, adds the Publication Abstract to the page
*[[Virus protease 3D structures|Virus protease 3D structures]]
(as it appears on PubMed at http://www.pubmed.gov), where 20600105 is the PubMed ID number.
== References ==
-->
<references/>
{{ABSTRACT_PUBMED_20600105}}
__TOC__
 
</StructureSection>
==About this Structure==
[[Category: Human T-cell leukemia virus type I]]
[[3liq]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human_t-lymphotropic_virus_1 Human t-lymphotropic virus 1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3LIQ OCA].
[[Category: Large Structures]]
 
[[Category: Gustchina A]]
==Reference==
[[Category: Kiso Y]]
<ref group="xtra">PMID:20600105</ref><references group="xtra"/>
[[Category: Li M]]
[[Category: Human t-lymphotropic virus 1]]
[[Category: Nguyen J]]
[[Category: Gustchina, A.]]
[[Category: Satoh T]]
[[Category: Kiso, Y.]]
[[Category: Wlodawer A]]
[[Category: Li, M.]]
[[Category: Nguyen, J.]]
[[Category: Satoh, T.]]
[[Category: Wlodawer, A.]]

Latest revision as of 11:37, 6 September 2023

Crystal Structure of HTLV protease complexed with the inhibitor, KNI-10673Crystal Structure of HTLV protease complexed with the inhibitor, KNI-10673

Structural highlights

3liq is a 2 chain structure with sequence from Human T-cell leukemia virus type I. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 2.29Å
Ligands:
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

Q82134_9DELA

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 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[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

See Also

References

  1. ↑ Satoh T, Li M, Nguyen JT, Kiso Y, Gustchina A, Wlodawer A. Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease. J Mol Biol. 2010 Aug 27;401(4):626-41. Epub 2010 Jun 30. PMID:20600105 doi:10.1016/j.jmb.2010.06.052

3liq, resolution 2.29Å

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