5TQH

IDH1 R132H mutant in complex with IDH889

Summary for 5TQH

• Entry DOI: 10.2210/pdb5tqh/pdb
• Descriptor: Isocitrate dehydrogenase [NADP] cytoplasmic, CITRATE ANION, (4S)-3-[2-({(1S)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl}amino)pyrimidin-4-yl]-4-(propan-2-yl)-1,3-oxazolidin-2-one, ... (5 entities in total)
• Functional Keywords: isocitrate dehydrogenase, rossmann fold, nadph, inhibitor, oxidoreductase
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm : O75874
• Total number of polymer chains: 4
• Total formula weight: 193133.58

Authors

Xie, X.,Kulathila, R. (deposition date: 2016-10-24, release date: 2017-01-25, Last modification date: 2024-03-06)

• Primary citation: Levell, J.R.,Caferro, T.,Chenail, G.,Dix, I.,Dooley, J.,Firestone, B.,Fortin, P.D.,Giraldes, J.,Gould, T.,Growney, J.D.,Jones, M.D.,Kulathila, R.,Lin, F.,Liu, G.,Mueller, A.,van der Plas, S.,Slocum, K.,Smith, T.,Terranova, R.,Toure, B.B.,Tyagi, V.,Wagner, T.,Xie, X.,Xu, M.,Yang, F.S.,Zhou, L.X.,Pagliarini, R.,Cho, Y.S.; Optimization of 3-Pyrimidin-4-yl-oxazolidin-2-ones as Allosteric and Mutant Specific Inhibitors of IDH1.; ACS Med Chem Lett, 8:151-156, 2017; PubMed: 28197303; DOI: 10.1021/acsmedchemlett.6b00334

Experimental method

X-RAY DIFFRACTION (2.2 Å)