6WF5
Crystal structure of human Naa50 in complex with a truncated cofactor derived inhibitor (compound 2)
Summary for 6WF5
| Entry DOI | 10.2210/pdb6wf5/pdb |
| Related | 6WF3 |
| Descriptor | N-alpha-acetyltransferase 50, ACE-MET-LEU-GLY-PRO-NH2, (2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide, ... (4 entities in total) |
| Functional Keywords | n-alpha-acetyltransferase 50, inhibitor complex, transferase, transferase-inhibitor complex, transferase/inhibitor |
| Biological source | Homo sapiens (Human) More |
| Total number of polymer chains | 4 |
| Total formula weight | 40548.90 |
| Authors | Greasley, S.E.,Feng, J.,Deng, Y.-L.,Stewart, A.E. (deposition date: 2020-04-03, release date: 2020-07-01, Last modification date: 2024-10-23) |
| Primary citation | Kung, P.P.,Bingham, P.,Burke, B.J.,Chen, Q.,Cheng, X.,Deng, Y.L.,Dou, D.,Feng, J.,Gallego, G.M.,Gehring, M.R.,Grant, S.K.,Greasley, S.,Harris, A.R.,Maegley, K.A.,Meier, J.,Meng, X.,Montano, J.L.,Morgan, B.A.,Naughton, B.S.,Palde, P.B.,Paul, T.A.,Richardson, P.,Sakata, S.,Shaginian, A.,Sonnenburg, W.K.,Subramanyam, C.,Timofeevski, S.,Wan, J.,Yan, W.,Stewart, A.E. Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library. Acs Med.Chem.Lett., 11:1175-1184, 2020 Cited by PubMed Abstract: 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 ( and ) 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 and demonstrate its selectivity toward related enzymes (Naa10 and Naa60). Additional analogs of inhibitor were also evaluated to study the binding mode observed in the cocrystal structures. PubMed: 32550998DOI: 10.1021/acsmedchemlett.0c00029 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.04 Å) |
Structure validation
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