6CGP

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with MAIP-032

Summary for 6CGP

Entry DOI	10.2210/pdb6cgp/pdb
Descriptor	Hdac6 protein, POTASSIUM ION, ZINC ION, ... (6 entities in total)
Functional Keywords	histone deacetylase, metallohydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Danio rerio (Zebrafish)
Total number of polymer chains	1
Total formula weight	40801.51
Authors	Osko, J.D.,Christianson, D.W. (deposition date: 2018-02-20, release date: 2018-06-13, Last modification date: 2023-10-04)
Primary citation	Mackwitz, M.K.W.,Hamacher, A.,Osko, J.D.,Held, J.,Scholer, A.,Christianson, D.W.,Kassack, M.U.,Hansen, F.K. Multicomponent Synthesis and Binding Mode of Imidazo[1,2- a]pyridine-Capped Selective HDAC6 Inhibitors. Org. Lett., 20:3255-3258, 2018 Cited by PubMed Abstract: The multicomponent synthesis of a mini-library of histone deacetylase inhibitors with imidazo[1,2- a]pyridine-based cap groups is presented. The biological evaluation led to the discovery of the hit compound MAIP-032 as a selective HDAC6 inhibitor with promising anticancer activity. The X-ray structure of catalytic domain 2 from Danio rerio HDAC6 complexed with MAIP-032 revealed a monodentate zinc-binding mode. PubMed: 29790770 DOI: 10.1021/acs.orglett.8b01118 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.5 Å)

Structure validation