6CEE

Crystal structure of fragment 3-(1-Methyl-2-oxo-1,2-dihydroquinoxalin-3-yl)propionic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain

Summary for 6CEE

Entry DOI	10.2210/pdb6cee/pdb
Descriptor	Histone deacetylase 6, ZINC ION, 3-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid, ... (5 entities in total)
Functional Keywords	histone deacetylase, hdac, hdac6, ubiquitin, structural genomics consortium, sgc, hydrolase
Biological source	Homo sapiens (Human)
Cellular location	Nucleus: Q9UBN7
Total number of polymer chains	1
Total formula weight	12361.07
Authors	Harding, R.J.,Halabelian, L.,Ferreira de Freitas, R.,Franzoni, I.,Ravichandran, M.,Lautens, M.,Santhakumar, V.,Schapira, M.,Bountra, C.,Edwards, A.M.,Arrowsmith, C.M.,Structural Genomics Consortium (SGC) (deposition date: 2018-02-11, release date: 2018-02-28, Last modification date: 2023-10-04)
Primary citation	Ferreira de Freitas, R.,Harding, R.J.,Franzoni, I.,Ravichandran, M.,Mann, M.K.,Ouyang, H.,Lautens, M.,Santhakumar, V.,Arrowsmith, C.H.,Schapira, M. Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61:4517-4527, 2018 Cited by PubMed: 29741882 DOI: 10.1021/acs.jmedchem.8b00258 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.55 Å)

Structure validation