6W0Y

Structure of KHK in complex with compound 6 (2-[(1~{R},5~{S})-3-[5-cyano-6-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid)

Summary for 6W0Y

• Entry DOI: 10.2210/pdb6w0y/pdb
• Descriptor: Ketohexokinase, 2-[(1~{R},5~{S})-3-[5-cyano-6-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid, SULFATE ION, ... (4 entities in total)
• Functional Keywords: ketohexokinase, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 69234.09

Authors

Jasti, J. (deposition date: 2020-03-03, release date: 2020-09-23, Last modification date: 2023-10-11)

• Primary citation: Futatsugi, K.,Smith, A.C.,Tu, M.,Raymer, B.,Ahn, K.,Coffey, S.B.,Dowling, M.S.,Fernando, D.P.,Gutierrez, J.A.,Huard, K.,Jasti, J.,Kalgutkar, A.S.,Knafels, J.D.,Pandit, J.,Parris, K.D.,Perez, S.,Pfefferkorn, J.A.,Price, D.A.,Ryder, T.,Shavnya, A.,Stock, I.A.,Tsai, A.S.,Tesz, G.J.,Thuma, B.A.,Weng, Y.,Wisniewska, H.M.,Xing, G.,Zhou, J.,Magee, T.V.; Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.; J.Med.Chem., 63:13546-13560, 2020; PubMed: 32910646; DOI: 10.1021/acs.jmedchem.0c00944

Experimental method

X-RAY DIFFRACTION (2.54 Å)