5HG1

Crystal Structure of Human Hexokinase 2 with cmpd 1, a C-2-substituted glucosamine

Summary for 5HG1

• Entry DOI: 10.2210/pdb5hg1/pdb
• Related: 5HEX 5HFU
• Descriptor: Hexokinase-2, 2-deoxy-2-{[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-alpha-D-glucopyranose, 6-O-phosphono-beta-D-glucopyranose, ... (5 entities in total)
• Functional Keywords: metabolism, inhibitor complex, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 104150.96

Authors

Campobasso, N.,Zhao, B.,Smallwood, A. (deposition date: 2016-01-07, release date: 2016-03-30, Last modification date: 2024-03-06)

• Primary citation: Lin, H.,Zeng, J.,Xie, R.,Schulz, M.J.,Tedesco, R.,Qu, J.,Erhard, K.F.,Mack, J.F.,Raha, K.,Rendina, A.R.,Szewczuk, L.M.,Kratz, P.M.,Jurewicz, A.J.,Cecconie, T.,Martens, S.,McDevitt, P.J.,Martin, J.D.,Chen, S.B.,Jiang, Y.,Nickels, L.,Schwartz, B.J.,Smallwood, A.,Zhao, B.,Campobasso, N.,Qian, Y.,Briand, J.,Rominger, C.M.,Oleykowski, C.,Hardwicke, M.A.,Luengo, J.I.; Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.; Acs Med.Chem.Lett., 7:217-222, 2016; PubMed: 26985301; DOI: 10.1021/acsmedchemlett.5b00214

Experimental method

X-RAY DIFFRACTION (2.76 Å)