3ZM9

The mechanism of allosteric coupling in choline kinase a1 revealed by a rationally designed inhibitor

Summary for 3ZM9

Entry DOI	10.2210/pdb3zm9/pdb
Descriptor	CHOLINE KINASE ALPHA, 1-(4-(4-(4-((6-amino-9H-purin-9-yl)methyl)phenyl)butyl)benzyl)-4- (dimethylamino)pyridinium (3 entities in total)
Functional Keywords	transferase, negative cooperativity, allosteric mechanism, elastic network analysis
Biological source	HOMO SAPIENS (HUMAN)
Cellular location	Cytoplasm: P35790
Total number of polymer chains	2
Total formula weight	90894.19
Authors	Sahun-Roncero, M.,Rubio-Ruiz, B.,Saladino, G.,Conejo-Garcia, A.,Espinosa, A.,Velazquez-Campoy, A.,Gervasio, F.L.,Entrena, A.,Hurtado-Guerrero, R. (deposition date: 2013-02-06, release date: 2013-02-27, Last modification date: 2023-12-20)
Primary citation	Sahun-Roncero, M.,Rubio-Ruiz, B.,Saladino, G.,Conejo-Garcia, A.,Espinosa, A.,Velazquez-Campoy, A.,Gervasio, F.L.,Entrena, A.,Hurtado-Guerrero, R. The Mechanism of Allosteric Coupling in Choline Kinase A1 Revealed by a Rationally Designed Inhibitor Angew.Chem.Int.Ed.Engl., 52:4582-, 2013 Cited by PubMed: 23441033 DOI: 10.1002/ANIE.201209660 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.9 Å)

Structure validation