7JOM

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with TO-317

Summary for 7JOM

Entry DOI	10.2210/pdb7jom/pdb
Descriptor	Hdac6 protein, N-hydroxy-4-({[(pyridin-3-yl)methyl][(2,3,4,5-tetrafluorophenyl)sulfonyl]amino}methyl)benzamide, 1,2-ETHANEDIOL, ... (7 entities in total)
Functional Keywords	hydrolase, histone deacetylase, inhibitor, metallohydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Danio rerio (Zebrafish)
Total number of polymer chains	2
Total formula weight	82206.40
Authors	Watson, P.R.,Christianson, D.W. (deposition date: 2020-08-06, release date: 2021-06-16, Last modification date: 2023-10-18)
Primary citation	Olaoye, O.O.,Watson, P.R.,Nawar, N.,Geletu, M.,Sedighi, A.,Bukhari, S.,Raouf, Y.S.,Manaswiyoungkul, P.,Erdogan, F.,Abdeldayem, A.,Cabral, A.D.,Hassan, M.M.,Toutah, K.,Shouksmith, A.E.,Gawel, J.M.,Israelian, J.,Radu, T.B.,Kachhiyapatel, N.,de Araujo, E.D.,Christianson, D.W.,Gunning, P.T. Unique Molecular Interaction with the Histone Deacetylase 6 Catalytic Tunnel: Crystallographic and Biological Characterization of a Model Chemotype. J.Med.Chem., 64:2691-2704, 2021 Cited by PubMed: 33576627 DOI: 10.1021/acs.jmedchem.0c01922 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.84 Å)

Structure validation