3QAI

X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 3

Summary for 3QAI

• Entry DOI: 10.2210/pdb3qai/pdb
• Related: 3NBV 3NBW 3NC2 3NC9 3NCA 3Q92 3QA2
• Descriptor: Ketohexokinase, SULFATE ION, N~8~-(cyclopropylmethyl)-2-(2,6-diazaspiro[3.3]hept-2-yl)-N~4~-[2-(methylsulfanyl)phenyl]pyrimido[5,4-d]pyrimidine-4,8-diamine, ... (4 entities in total)
• Functional Keywords: ketohexokinase, atp binding, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 69310.48

Authors

Abad, M.C. (deposition date: 2011-01-11, release date: 2012-01-18, Last modification date: 2023-09-13)

• Primary citation: Maryanoff, B.E.,O'Neill, J.C.,McComsey, D.F.,Yabut, S.C.,Luci, D.K.,Jordan, A.D.,Masucci, J.A.,Jones, W.J.,Abad, M.C.,Gibbs, A.C.,Petrounia, I.; Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site.; ACS Med Chem Lett, 2:538-543, 2011; PubMed: 24900346; DOI: 10.1021/ml200070g

Experimental method

X-RAY DIFFRACTION (2.7 Å)