6au3

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==Crystal structure of SETDB1 Tudor domain with aryl triazole fragments==
==Crystal structure of SETDB1 Tudor domain with aryl triazole fragments==
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<StructureSection load='6au3' size='340' side='right' caption='[[6au3]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
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<StructureSection load='6au3' size='340' side='right'caption='[[6au3]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[6au3]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6AU3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6AU3 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[6au3]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6AU3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6AU3 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BWM:N-{[2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)phenyl]methyl}acetamide'>BWM</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=UNX:UNKNOWN+ATOM+OR+ION'>UNX</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.8&#8491;</td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">SETDB1, KIAA0067, KMT1E ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=BWM:N-{[2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)phenyl]methyl}acetamide'>BWM</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=UNX:UNKNOWN+ATOM+OR+ION'>UNX</scene></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Histone-lysine_N-methyltransferase Histone-lysine N-methyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.43 2.1.1.43] </span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=6au3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6au3 OCA], [https://pdbe.org/6au3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6au3 RCSB], [https://www.ebi.ac.uk/pdbsum/6au3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6au3 ProSAT]</span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6au3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6au3 OCA], [http://pdbe.org/6au3 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6au3 RCSB], [http://www.ebi.ac.uk/pdbsum/6au3 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6au3 ProSAT]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/SETB1_HUMAN SETB1_HUMAN]] Histone methyltransferase that specifically trimethylates 'Lys-9' of histone H3. H3 'Lys-9' trimethylation represents a specific tag for epigenetic transcriptional repression by recruiting HP1 (CBX1, CBX3 and/or CBX5) proteins to methylated histones. Mainly functions in euchromatin regions, thereby playing a central role in the silencing of euchromatic genes. H3 'Lys-9' trimethylation is coordinated with DNA methylation. Probably forms a complex with MBD1 and ATF7IP that represses transcription and couples DNA methylation and histone 'Lys-9' trimethylation. Its activity is dependent on MBD1 and is heritably maintained through DNA replication by being recruited by CAF-1. SETDB1 is targeted to histone H3 by TRIM28/TIF1B, a factor recruited by KRAB zinc-finger proteins.<ref>PMID:12869583</ref> <ref>PMID:14536086</ref> <ref>PMID:15327775</ref> <ref>PMID:17952062</ref>
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[https://www.uniprot.org/uniprot/SETB1_HUMAN SETB1_HUMAN] Histone methyltransferase that specifically trimethylates 'Lys-9' of histone H3. H3 'Lys-9' trimethylation represents a specific tag for epigenetic transcriptional repression by recruiting HP1 (CBX1, CBX3 and/or CBX5) proteins to methylated histones. Mainly functions in euchromatin regions, thereby playing a central role in the silencing of euchromatic genes. H3 'Lys-9' trimethylation is coordinated with DNA methylation. Probably forms a complex with MBD1 and ATF7IP that represses transcription and couples DNA methylation and histone 'Lys-9' trimethylation. Its activity is dependent on MBD1 and is heritably maintained through DNA replication by being recruited by CAF-1. SETDB1 is targeted to histone H3 by TRIM28/TIF1B, a factor recruited by KRAB zinc-finger proteins.<ref>PMID:12869583</ref> <ref>PMID:14536086</ref> <ref>PMID:15327775</ref> <ref>PMID:17952062</ref>
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==See Also==
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*[[Histone methyltransferase 3D structures|Histone methyltransferase 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Histone-lysine N-methyltransferase]]
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[[Category: Homo sapiens]]
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[[Category: Human]]
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[[Category: Large Structures]]
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[[Category: Arrowsmith, C H]]
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[[Category: Arrowsmith CH]]
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[[Category: BROWN, P J]]
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[[Category: BROWN PJ]]
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[[Category: Bountra, C]]
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[[Category: Bountra C]]
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[[Category: CORLESS, V B]]
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[[Category: CORLESS VB]]
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[[Category: DIAZ, D]]
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[[Category: DELA SENA CC]]
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[[Category: DOBROVETSKY, E]]
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[[Category: DIAZ D]]
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[[Category: DONG, A]]
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[[Category: DOBROVETSKY E]]
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[[Category: Edwards, A M]]
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[[Category: DONG A]]
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[[Category: HOLOWNIA, A]]
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[[Category: Edwards AM]]
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[[Category: IQBAL, A]]
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[[Category: HOLOWNIA A]]
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[[Category: KENNEDY, S]]
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[[Category: IQBAL A]]
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[[Category: LIEW, S K]]
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[[Category: KENNEDY S]]
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[[Category: MADER, P]]
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[[Category: LIEW SK]]
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[[Category: Mendoza-Sanchez, R]]
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[[Category: MADER P]]
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[[Category: SANTHAKUMAR, V]]
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[[Category: Mendoza-Sanchez R]]
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[[Category: SENA, C C.DELA]]
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[[Category: SANTHAKUMAR V]]
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[[Category: Structural genomic]]
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[[Category: SMIL D]]
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[[Category: SMIL, D]]
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[[Category: TEMPEL W]]
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[[Category: TEMPEL, W]]
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[[Category: VEDADI M]]
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[[Category: VEDADI, M]]
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[[Category: YUDIN AK]]
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[[Category: YUDIN, A K]]
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[[Category: Epigenetic]]
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[[Category: Fragment hit]]
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[[Category: Methyllysine reader]]
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[[Category: Setdb1 tudor]]
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[[Category: Sgc]]
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[[Category: Transferase]]
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Current revision

Crystal structure of SETDB1 Tudor domain with aryl triazole fragments

PDB ID 6au3

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