7O2R

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with ITF3985

Summary for 7O2R

• Entry DOI: 10.2210/pdb7o2r/pdb
• Descriptor: Histone deacetylase 6, 3,5-bis(fluoranyl)-~{N}-oxidanyl-4-[(5-pyrimidin-2-yl-1,2,3,4-tetrazol-2-yl)methyl]benzamide, ZINC ION, ... (7 entities in total)
• Functional Keywords: histone deacetylase, complex with hydroxamate inhibitor, hydrolase
• Biological source: Danio rerio (Zebrafish, Brachydanio rerio)
• Total number of polymer chains: 1
• Total formula weight: 41686.94

Authors

Zrubek, K.,Sandrone, G.,Cukier, C.D.,Stevenazzi, A. (deposition date: 2021-03-31, release date: 2021-10-27, Last modification date: 2024-01-31)

• Primary citation: Sandrone, G.,Cukier, C.D.,Zrubek, K.,Marchini, M.,Vergani, B.,Caprini, G.,Fossati, G.,Steinkuhler, C.,Stevenazzi, A.; Role of Fluorination in the Histone Deacetylase 6 (HDAC6) Selectivity of Benzohydroxamate-Based Inhibitors.; Acs Med.Chem.Lett., 12:1810-1817, 2021; PubMed: 34795871; DOI: 10.1021/acsmedchemlett.1c00425

Experimental method

X-RAY DIFFRACTION (2.3 Å)