6W0X
Structure of KHK in complex with compound 4 (6-[(1~{S},5~{R})-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile)
Summary for 6W0X
Entry DOI | 10.2210/pdb6w0x/pdb |
Descriptor | Ketohexokinase, 6-[(1~{S},5~{R})-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, SULFATE ION, ... (4 entities in total) |
Functional Keywords | ketohexokinase, transferase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 69082.01 |
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 Cited by PubMed: 32910646DOI: 10.1021/acs.jmedchem.0c00944 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.38 Å) |
Structure validation
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