7w28

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Current revision (17:35, 29 November 2023) (edit) (undo)
 
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'''Unreleased structure'''
 
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The entry 7w28 is ON HOLD until Paper Publication
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==Crystal Structure of SETD3-SAH in complex with betaA-4PyrAla73 peptide==
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<StructureSection load='7w28' size='340' side='right'caption='[[7w28]], [[Resolution|resolution]] 1.79&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[7w28]] is a 2 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=7W28 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7W28 FirstGlance]. <br>
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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]] 1.79&#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=N9P:3-pyridin-4-yl-L-alanine'>N9P</scene>, <scene name='pdbligand=SAH:S-ADENOSYL-L-HOMOCYSTEINE'>SAH</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></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=7w28 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7w28 OCA], [https://pdbe.org/7w28 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7w28 RCSB], [https://www.ebi.ac.uk/pdbsum/7w28 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7w28 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/SETD3_HUMAN SETD3_HUMAN] Histone methyltransferase that methylates 'Lys-36' of histone H3 (H3K36me). H3 'Lys-36' methylation represents a specific tag for epigenetic transcriptional activation (By similarity).
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Actin histidine N(tau) -methylation by histidine methyltransferase SETD3 plays an important role in human biology and diseases. Here, we report integrated synthetic, biocatalytic, biostructural, and computational analyses on human SETD3-catalyzed methylation of actin peptides possessing histidine and its structurally and chemically diverse mimics. Our enzyme assays supported by biostructural analyses demonstrate that SETD3 has a broader substrate scope beyond histidine, including N-nucleophiles on the aromatic and aliphatic side chains. Quantum mechanical/molecular mechanical molecular dynamics and free-energy simulations provide insight into binding geometries and the free energy barrier for the enzymatic methyl transfer to histidine mimics, further supporting experimental data that histidine is the superior SETD3 substrate over its analogs. This work demonstrates that human SETD3 has a potential to catalyze efficient methylation of several histidine mimics, overall providing mechanistic, biocatalytic, and functional insight into actin histidine methylation by SETD3.
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Authors:
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Histidine methyltransferase SETD3 methylates structurally diverse histidine mimics in actin.,Hintzen JCJ, Ma H, Deng H, Witecka A, Andersen SB, Drozak J, Guo H, Qian P, Li H, Mecinovic J Protein Sci. 2022 May;31(5):e4305. doi: 10.1002/pro.4305. PMID:35481649<ref>PMID:35481649</ref>
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Description:
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[Category: Unreleased Structures]]
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</div>
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<div class="pdbe-citations 7w28" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Homo sapiens]]
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[[Category: Large Structures]]
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[[Category: Li H]]
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[[Category: Ma H]]

Current revision

Crystal Structure of SETD3-SAH in complex with betaA-4PyrAla73 peptide

PDB ID 7w28

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