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; PubMed: 29019676; DOI: 10.1021/acs.jmedchem.7b00933

Experimental method

X-RAY DIFFRACTION (1.05 Å)