4WOT

ROCK2 IN COMPLEX WITH 1426382-07-1

Summary for 4WOT

Entry DOI	10.2210/pdb4wot/pdb
Descriptor	Rho-associated protein kinase 2, methyl 3-[({2'-(aminomethyl)-5'-[(3-fluoropyridin-4-yl)carbamoyl]biphenyl-3-yl}carbonyl)amino]-4-fluorobenzoate (3 entities in total)
Functional Keywords	transferase
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm: O75116
Total number of polymer chains	4
Total formula weight	183952.89
Authors	Augustin, M.,Krapp, S.,Boland, S.,Defert, O.,Bourin, A.,Alen, J.,Leysen, D. (deposition date: 2014-10-16, release date: 2015-05-06, Last modification date: 2018-04-25)
Primary citation	Boland, S.,Bourin, A.,Alen, J.,Geraets, J.,Schroeders, P.,Castermans, K.,Kindt, N.,Boumans, N.,Panitti, L.,Fransen, S.,Vanormelingen, J.,Stassen, J.M.,Leysen, D.,Defert, O. Design, synthesis, and biological evaluation of novel, highly active soft ROCK inhibitors. J. Med. Chem., 58:4309-4324, 2015 Cited by PubMed: 25898023 DOI: 10.1021/acs.jmedchem.5b00308 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.93 Å)

Structure validation