7S4C

Crystal Structure of Inhibitor-bound Galactokinase

Summary for 7S4C

Entry DOI	10.2210/pdb7s4c/pdb
Related	7RCL 7RCM 7S49
Descriptor	Galactokinase, alpha-D-galactopyranose, 2-({(4R)-4-(2-chlorophenyl)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-6-methyl-1,4-dihydropyrimidine-5-carbonyl}amino)pyridine-4-carboxylic acid, ... (6 entities in total)
Functional Keywords	galk, galactokinase, galactose, inhibitor, disulfide, sugar binding protein, transferase-inhibitor complex, transferase/inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	86754.92
Authors	Whitby, F.G. (deposition date: 2021-09-08, release date: 2021-09-29, Last modification date: 2023-10-18)
Primary citation	Liu, L.,Tang, M.,Pragani, R.,Whitby, F.G.,Zhang, Y.Q.,Balakrishnan, B.,Fang, Y.,Karavadhi, S.,Tao, D.,LeClair, C.A.,Hall, M.D.,Marugan, J.J.,Boxer, M.,Shen, M.,Hill, C.P.,Lai, K.,Patnaik, S. Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors. J.Med.Chem., 64:13551-13571, 2021 Cited by PubMed: 34491744 DOI: 10.1021/acs.jmedchem.1c00945 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.2 Å)

Structure validation