5WPB

Crystal structure of fragment 3-(3-(pyridin-2-ylmethoxy)quinoxalin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain

Summary for 5WPB

Entry DOI	10.2210/pdb5wpb/pdb
Descriptor	Histone deacetylase 6, ZINC ION, 3-{3-[(pyridin-2-yl)methoxy]quinoxalin-2-yl}propanoic acid, ... (5 entities in total)
Functional Keywords	histone deacetylase, hdac, hdac6, fragment screening, structural genomics consortium, sgc, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	12133.75
Authors	Harding, R.J.,Tempel, W.,Ferreira de Freitas, R.,Franzoni, I.,Ravichandran, M.,Lautens, M.,Santhakumar, V.,Schapira, M.,Bountra, C.,Edwards, A.M.,Arrowsmith, C.H.,Structural Genomics Consortium (SGC) (deposition date: 2017-08-04, release date: 2017-08-23, Last modification date: 2024-03-13)
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 (1.55 Å)

Structure validation