5B8D
Crystal structure of a low occupancy fragment candidate (N-(4-Methyl-1,3-thiazol-2-yl)propanamide) bound adjacent to the ubiquitin binding pocket of the HDAC6 zinc-finger domain
Summary for 5B8D
Entry DOI | 10.2210/pdb5b8d/pdb |
Related | 5kh3 5kh7 5kh9 |
Descriptor | Histone deacetylase 6, ZINC ION, FORMIC ACID, ... (7 entities in total) |
Functional Keywords | histone deacetylase, hdac, hdac6, fragment screening, structural genomics consortium, sgc, diamond i04-1 xchem, pandda, hydrolase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 12400.08 |
Authors | Harding, R.J.,Tempel, W.,Collins, P.,Pearce, N.,Brandao-Neto, J.,Douangamath, A.,Ravichandran, M.,Schapira, M.,Bountra, C.,Edwards, A.M.,von Delft, F.,Santhakumar, V.,Arrowsmith, C.M.,Structural Genomics Consortium (SGC) (deposition date: 2016-06-14, release date: 2016-07-27, Last modification date: 2023-10-18) |
Primary citation | Harding, R.J.,Ferreira de Freitas, R.,Collins, P.,Franzoni, I.,Ravichandran, M.,Ouyang, H.,Juarez-Ornelas, K.A.,Lautens, M.,Schapira, M.,von Delft, F.,Santhakumar, V.,Arrowsmith, C.H. Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin. J. Med. Chem., 60:9090-9096, 2017 Cited by PubMed: 29019676DOI: 10.1021/acs.jmedchem.7b00933 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.05 Å) |
Structure validation
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