6DQ7

LINKED KDM5A JMJ DOMAIN BOUND TO THE POTENTIAL HYDROLYSIS PRODUCT OF INHIBITOR N45 i.e. 3-((6-(4-(2-cyano-3-methylbut-2-enoyl)-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid

Summary for 6DQ7

• Entry DOI: 10.2210/pdb6dq7/pdb
• Descriptor: Linked KDM5A Jmj Domain, N-{6-[4-(hydroxyacetyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine, MANGANESE (II) ION, ... (6 entities in total)
• Functional Keywords: demethylase inhibition, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 1
• Total formula weight: 38554.37

Authors

Horton, J.R.,Cheng, X. (deposition date: 2018-06-10, release date: 2019-06-12, Last modification date: 2023-10-11)

• Primary citation: Horton, J.R.,Liu, X.,Woodcock, C.B.,Shanks, J.,Zhang, X.,Rai, G.,Mott, B.,Jansen, D.J.,Kales, S.,Henderson, M.J.,Pohida, K.,Fang, Y.,Hu, X.,Jadhav, A.,Maloney, D.,Hall, M.D.,Simeonov, A.,Fu, H.,Vertino, P.M.,Cheng, X.; Structure-based Engineering of Reversible Covalent Inhibitors Against Histone Lysine Demethylase 5A; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.852 Å)