7S49

Crystal Structure of Inhibitor-bound Galactokinase

Summary for 7S49

• Entry DOI: 10.2210/pdb7s49/pdb
• Related: 7RCL
• Descriptor: Galactokinase, alpha-D-galactopyranose, (4R)-2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chloro-1H-pyrazol-5-yl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one, ... (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: 85957.82

Authors

Whitby, F.G. (deposition date: 2021-09-08, release date: 2021-09-29, Last modification date: 2023-10-25)

• 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; PubMed: 34491744; DOI: 10.1021/acs.jmedchem.1c00945

Experimental method

X-RAY DIFFRACTION (2.2 Å)