6DVO

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with Bavarostat

Summary for 6DVO

Entry DOI	10.2210/pdb6dvo/pdb
Descriptor	Hdac6 protein, ZINC ION, POTASSIUM ION, ... (7 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	41387.20
Authors	Porter, N.J.,Christianson, D.W. (deposition date: 2018-06-24, release date: 2018-08-29, Last modification date: 2023-10-11)
Primary citation	Porter, N.J.,Osko, J.D.,Diedrich, D.,Kurz, T.,Hooker, J.M.,Hansen, F.K.,Christianson, D.W. Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity. J. Med. Chem., 61:8054-8060, 2018 Cited by PubMed Abstract: Four crystal structures are presented of histone deacetylase 6 (HDAC6) complexes with para-substituted phenylhydromaxamate inhibitors, including bulky peptoids. These structures provide insight regarding the design of capping groups that confer selectivity for binding to HDAC6, specifically with regard to interactions in a pocket formed by the L1 loop. Capping group interactions may also influence hydroxamate-Zn coordination with monodentate or bidentate geometry. PubMed: 30118224 DOI: 10.1021/acs.jmedchem.8b01013 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.98 Å)

Structure validation