6wfk

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Current revision (14:24, 18 October 2023) (edit) (undo)
 
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'''Unreleased structure'''
 
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The entry 6wfk is ON HOLD until Paper Publication
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==Crystal structure of human Naa50 in complex with CoA and an inhibitor (compound 4a) identified using DNA encoded library technology==
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<StructureSection load='6wfk' size='340' side='right'caption='[[6wfk]], [[Resolution|resolution]] 1.87&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[6wfk]] is a 3 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=6WFK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6WFK 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]] 1.87&#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=COA:COENZYME+A'>COA</scene>, <scene name='pdbligand=U2J:(4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide'>U2J</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=6wfk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6wfk OCA], [https://pdbe.org/6wfk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6wfk RCSB], [https://www.ebi.ac.uk/pdbsum/6wfk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6wfk ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/NAA50_HUMAN NAA50_HUMAN] Probable catalytic component of the NAA11-NAA15 complex which displays alpha (N-terminal) acetyltransferase activity.<ref>PMID:16507339</ref>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Two novel compounds were identified as Naa50 binders/inhibitors using DNA-encoded technology screening. Biophysical and biochemical data as well as cocrystal structures were obtained for both compounds (3a and 4a) to understand their mechanism of action. These data were also used to rationalize the binding affinity differences observed between the two compounds and a MLGP peptide-containing substrate. Cellular target engagement experiments further confirm the Naa50 binding of 4a and demonstrate its selectivity toward related enzymes (Naa10 and Naa60). Additional analogs of inhibitor 4a were also evaluated to study the binding mode observed in the cocrystal structures.
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Authors: Greasley, S.E., Feng, J., Deng, Y.-L., Stewart, A.E.
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Characterization of Specific N-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.,Kung PP, Bingham P, Burke BJ, Chen Q, Cheng X, Deng YL, Dou D, Feng J, Gallego GM, Gehring MR, Grant SK, Greasley S, Harris AR, Maegley KA, Meier J, Meng X, Montano JL, Morgan BA, Naughton BS, Palde PB, Paul TA, Richardson P, Sakata S, Shaginian A, Sonnenburg WK, Subramanyam C, Timofeevski S, Wan J, Yan W, Stewart AE ACS Med Chem Lett. 2020 Apr 10;11(6):1175-1184. doi:, 10.1021/acsmedchemlett.0c00029. eCollection 2020 Jun 11. PMID:32550998<ref>PMID:32550998</ref>
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Description: Crystal structure of human Naa50 in complex with CoA and an inhibitor (compound 4a) identified using DNA encoded library technology
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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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[[Category: Feng, J]]
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<div class="pdbe-citations 6wfk" style="background-color:#fffaf0;"></div>
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[[Category: Greasley, S.E]]
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== References ==
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[[Category: Deng, Y.-L]]
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<references/>
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[[Category: Stewart, A.E]]
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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: Deng Y-L]]
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[[Category: Feng J]]
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[[Category: Greasley SE]]
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[[Category: Stewart AE]]

Current revision

Crystal structure of human Naa50 in complex with CoA and an inhibitor (compound 4a) identified using DNA encoded library technology

PDB ID 6wfk

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