7U8Z

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) complexed with fluorinated peptoid inhibitor

Summary for 7U8Z

Entry DOI	10.2210/pdb7u8z/pdb
Descriptor	Hdac6 protein, ACETATE ION, 4-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide, ... (9 entities in total)
Functional Keywords	hydrolase, histone deacetylase, inhibitor, metallohydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological source	Danio rerio (zebrafish)
Total number of polymer chains	4
Total formula weight	164256.01
Authors	Watson, P.R.,Cragin, A.D.,Christianson, D.W. (deposition date: 2022-03-09, release date: 2022-11-23, Last modification date: 2023-10-25)
Primary citation	Ressing, N.,Schliehe-Diecks, J.,Watson, P.R.,Sonnichsen, M.,Cragin, A.D.,Scholer, A.,Yang, J.,Schaker-Hubner, L.,Borkhardt, A.,Christianson, D.W.,Bhatia, S.,Hansen, F.K. Development of Fluorinated Peptoid-Based Histone Deacetylase (HDAC) Inhibitors for Therapy-Resistant Acute Leukemia. J.Med.Chem., 65:15457-15472, 2022 Cited by PubMed: 36351184 DOI: 10.1021/acs.jmedchem.2c01418 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.85 Å)

Structure validation