7QPN

Crystal Structure of Phosphatidylinositol 5-Phosphate 4-Kinase (PI5P4K2C) bound to an allosteric inhibitor and AMP-PNP

Summary for 7QPN

• Entry DOI: 10.2210/pdb7qpn/pdb
• Related: 7QIE
• Descriptor: Phosphatidylinositol 5-Phosphate 4-Kinase (PI5P4K2C), 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... (4 entities in total)
• Functional Keywords: allosteric binding, lipid kinase, non-atp-competitive inhibitor, phosphatidylinositol 5-phosphate, transferase
• Biological source: Homo sapiens
• Total number of polymer chains: 2
• Total formula weight: 82025.09

Authors

Howard, T.D.,Ogg, D.T. (deposition date: 2022-01-05, release date: 2022-05-18, Last modification date: 2024-01-31)

• Primary citation: Boffey, H.K.,Rooney, T.P.C.,Willems, H.M.G.,Edwards, S.,Green, C.,Howard, T.,Ogg, D.,Romero, T.,Scott, D.E.,Winpenny, D.,Duce, J.,Skidmore, J.,Clarke, J.H.,Andrews, S.P.; Development of Selective Phosphatidylinositol 5-Phosphate 4-Kinase gamma Inhibitors with a Non-ATP-competitive, Allosteric Binding Mode.; J.Med.Chem., 65:3359-3370, 2022; PubMed: 35148092; DOI: 10.1021/acs.jmedchem.1c01819

Experimental method

X-RAY DIFFRACTION (1.95 Å)