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[[Image:1wug.gif|left|200px]]


{{Structure
==complex structure of PCAF bromodomain with small chemical ligand NP1==
|PDB= 1wug |SIZE=350|CAPTION= <scene name='initialview01'>1wug</scene>
<StructureSection load='1wug' size='340' side='right'caption='[[1wug]]' scene=''>
|SITE=  
== Structural highlights ==
|LIGAND= <scene name='pdbligand=NP1:N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE'>NP1</scene>
<table><tr><td colspan='2'>[[1wug]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1WUG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1WUG FirstGlance]. <br>
|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Histone_acetyltransferase Histone acetyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.48 2.3.1.48] </span>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Solution NMR</td></tr>
|GENE= PCAF ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NP1:N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE'>NP1</scene></td></tr>
|DOMAIN=
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1wug FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1wug OCA], [https://pdbe.org/1wug PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1wug RCSB], [https://www.ebi.ac.uk/pdbsum/1wug PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1wug ProSAT]</span></td></tr>
|RELATEDENTRY=[[1b91|1B91]], [[1jm4|1JM4]], [[1wum|1WUM]]
</table>
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1wug FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1wug OCA], [http://www.ebi.ac.uk/pdbsum/1wug PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1wug RCSB]</span>
== Function ==
}}
[https://www.uniprot.org/uniprot/KAT2B_HUMAN KAT2B_HUMAN] Functions as a histone acetyltransferase (HAT) to promote transcriptional activation. Has significant histone acetyltransferase activity with core histones (H3 and H4), and also with nucleosome core particles. Also acetylates non-histone proteins, such as ACLY. Inhibits cell-cycle progression and counteracts the mitogenic activity of the adenoviral oncoprotein E1A. In case of HIV-1 infection, it is recruited by the viral protein Tat. Regulates Tat's transactivating activity and may help inducing chromatin remodeling of proviral genes.<ref>PMID:8684459</ref> <ref>PMID:9707565</ref> <ref>PMID:10675335</ref> <ref>PMID:23932781</ref>
== 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/wu/1wug_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=1wug ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Development of drug resistance from mutations in the targeted viral proteins leads to continuation of viral production by chronically infected cells, contributing to HIV-mediated immune dysfunction. Targeting a host cell protein essential for viral reproduction, rather than a viral protein, may minimize the viral drug resistance problem as observed with HIV protease inhibitors. We report here the development of a novel class of N1-aryl-propane-1,3-diamine compounds using a structure-based approach that selectively inhibit the activity of the bromodomain of the human transcriptional co-activator PCAF, of which association with the HIV trans-activator Tat is essential for transcription and replication of the integrated HIV provirus.


'''complex structure of PCAF bromodomain with small chemical ligand NP1'''
Selective small molecules blocking HIV-1 Tat and coactivator PCAF association.,Zeng L, Li J, Muller M, Yan S, Mujtaba S, Pan C, Wang Z, Zhou MM J Am Chem Soc. 2005 Mar 2;127(8):2376-7. PMID:15724976<ref>PMID:15724976</ref>


From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 1wug" style="background-color:#fffaf0;"></div>


==Overview==
==See Also==
Development of drug resistance from mutations in the targeted viral proteins leads to continuation of viral production by chronically infected cells, contributing to HIV-mediated immune dysfunction. Targeting a host cell protein essential for viral reproduction, rather than a viral protein, may minimize the viral drug resistance problem as observed with HIV protease inhibitors. We report here the development of a novel class of N1-aryl-propane-1,3-diamine compounds using a structure-based approach that selectively inhibit the activity of the bromodomain of the human transcriptional co-activator PCAF, of which association with the HIV trans-activator Tat is essential for transcription and replication of the integrated HIV provirus.
*[[Histone acetyltransferase 3D structures|Histone acetyltransferase 3D structures]]
 
== References ==
==About this Structure==
<references/>
1WUG is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1WUG OCA].
__TOC__
 
</StructureSection>
==Reference==
Selective small molecules blocking HIV-1 Tat and coactivator PCAF association., Zeng L, Li J, Muller M, Yan S, Mujtaba S, Pan C, Wang Z, Zhou MM, J Am Chem Soc. 2005 Mar 2;127(8):2376-7. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15724976 15724976]
[[Category: Histone acetyltransferase]]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Single protein]]
[[Category: Large Structures]]
[[Category: Li, J.]]
[[Category: Li J]]
[[Category: Mujtaba, S.]]
[[Category: Mujtaba S]]
[[Category: Muller, M.]]
[[Category: Muller M]]
[[Category: Pan, C.]]
[[Category: Pan C]]
[[Category: Wang, Z.]]
[[Category: Wang Z]]
[[Category: Yan, S.]]
[[Category: Yan S]]
[[Category: Zeng, L.]]
[[Category: Zeng L]]
[[Category: Zhou, M M.]]
[[Category: Zhou MM]]
[[Category: bromodomain]]
[[Category: chemical ligand]]
[[Category: histone-acetyltransferase]]
[[Category: nmr-structure]]
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 00:41:08 2008''

Latest revision as of 13:49, 9 May 2024

complex structure of PCAF bromodomain with small chemical ligand NP1

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