7SSB

Co-structure of PKG1 regulatory domain with compound 33

Summary for 7SSB

Entry DOI	10.2210/pdb7ssb/pdb
Descriptor	cGMP-dependent protein kinase 1, 4-({(2S,3S)-3-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethoxy]-2-phenylpiperidin-1-yl}methyl)-3-nitrobenzoic acid (3 entities in total)
Functional Keywords	binding sites, cyclic amp, cyclic gmp, cyclic gmp-dependent, protein kinase type ii, signaling protein, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	31012.27
Authors	Fischmann, T.O. (deposition date: 2021-11-10, release date: 2022-08-24, Last modification date: 2023-10-18)
Primary citation	Mak, V.W.,Patel, A.M.,Yen, R.,Hanisak, J.,Lim, Y.H.,Bao, J.,Zheng, R.,Seganish, W.M.,Yu, Y.,Healy, D.R.,Ogawa, A.,Ren, Z.,Soriano, A.,Ermakov, G.P.,Beaumont, M.,Metwally, E.,Cheng, A.C.,Verras, A.,Fischmann, T.,Zebisch, M.,Silvestre, H.L.,McEwan, P.A.,Barker, J.,Rearden, P.,Greshock, T.J. Optimization and Mechanistic Investigations of Novel Allosteric Activators of PKG1 alpha. J.Med.Chem., 65:10318-10340, 2022 Cited by PubMed: 35878399 DOI: 10.1021/acs.jmedchem.1c02109 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.4 Å)

Structure validation