6BGW

LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(4,4-difluoropiperidin-1-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound N41)

Summary for 6BGW

• Entry DOI: 10.2210/pdb6bgw/pdb
• Descriptor: Lysine-specific demethylase 5A, linked KDM5A JMJ domain, 2-{(S)-(2-chlorophenyl)[2-(4,4-difluoropiperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, MANGANESE (II) ION, ... (6 entities in total)
• Functional Keywords: demethylase inhibition, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 1
• Total formula weight: 38988.26

Authors

Horton, J.R.,Cheng, X. (deposition date: 2017-10-29, release date: 2018-03-28, Last modification date: 2023-10-04)

• Primary citation: Horton, J.R.,Liu, X.,Wu, L.,Zhang, K.,Shanks, J.,Zhang, X.,Rai, G.,Mott, B.T.,Jansen, D.J.,Kales, S.C.,Henderson, M.J.,Pohida, K.,Fang, Y.,Hu, X.,Jadhav, A.,Maloney, D.J.,Hall, M.D.,Simeonov, A.,Fu, H.,Vertino, P.M.,Yan, Q.,Cheng, X.; Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.; J. Med. Chem., 61:3193-3208, 2018; PubMed: 29537847; DOI: 10.1021/acs.jmedchem.8b00261

Experimental method

X-RAY DIFFRACTION (1.644 Å)