6XZ8

Structure of aldosterone synthase (CYP11B2) in complex with N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxo-isoindolin-2-yl)-3-pyridyl]ethyl]methanesulfonamide

Summary for 6XZ8

Entry DOI	10.2210/pdb6xz8/pdb
Descriptor	Cytochrome P450 11B2, mitochondrial, HEME C, ~{N}-[(1~{R})-1-[5-(6-chloranyl-1,1-dimethyl-3-oxidanylidene-isoindol-2-yl)pyridin-3-yl]ethyl]methanesulfonamide, ... (4 entities in total)
Functional Keywords	cytochrome p450, cyp11b2, aldosterone synthase, oxidoreductase
Biological source	Homo sapiens (Human)
Total number of polymer chains	3
Total formula weight	171763.77
Authors	Kuglstatter, A.,Joseph, C.,Benz, J. (deposition date: 2020-02-03, release date: 2020-06-24, Last modification date: 2020-07-22)
Primary citation	Liu, Y.,Wu, J.,Zhou, M.,Chen, W.,Li, D.,Wang, Z.,Hornsperger, B.,Aebi, J.D.,Marki, H.P.,Kuhn, B.,Wang, L.,Kuglstatter, A.,Benz, J.,Muller, S.,Hochstrasser, R.,Ottaviani, G.,Xin, J.,Kirchner, S.,Mohr, S.,Verry, P.,Riboulet, W.,Shen, H.C.,Mayweg, A.V.,Amrein, K.,Tan, X. Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors. J.Med.Chem., 63:6876-6897, 2020 Cited by PubMed: 32530624 DOI: 10.1021/acs.jmedchem.0c00233 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (3 Å)

Structure validation