5KH9

Crystal structure of a low occupancy fragment candidate (5-[(4-Isopropylphenyl)amino]-6-methyl-1,2,4-triazin-3(2H)-one) bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain

Summary for 5KH9

Entry DOI	10.2210/pdb5kh9/pdb
Related	5B8D 5KH3 5KH7
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	12442.14
Authors	Harding, R.J.,Tempel, W.,Ravichandran, M.,Collins, P.,Pearce, N.,Brandao-Neto, J.,Douangamath, A.,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: 2023-09-27)
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: 29019676 DOI: 10.1021/acs.jmedchem.7b00933 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.07 Å)

Structure validation