5C37

Structure of the beta-ketoacyl reductase domain of human fatty acid synthase bound to a spiro-imidazolone inhibitor

Summary for 5C37

• Entry DOI: 10.2210/pdb5c37/pdb
• Descriptor: Fatty acid synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-{[(3R)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-5-[4-(1-methyl-1H-indazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one, ... (6 entities in total)
• Functional Keywords: fatty acid synthase, inhibitor, beta-ketoacyl reductase, cancer, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm : P49327
• Total number of polymer chains: 2
• Total formula weight: 146722.89

Authors

Schubert, C.,Milligan, C.M.,Vo, K.,Grasberger, B. (deposition date: 2015-06-17, release date: 2016-06-22, Last modification date: 2023-09-27)

• Primary citation: Lu, T.,Schubert, C.,Cummings, M.D.,Bignan, G.,Connolly, P.,Smans, K.,Ludovici, D.,Parker, M.,Meyer, C.,Rocaboy, C.,Alexander, R.,Grasberger, B.,De Breucker, S.,Esser, N.,Fraiponts, E.,Gilissen, R.,Janssens, B.,Peeters, D.,Van Nuffel, L.,Vermeulen, P.,Bischoff, J.,Meerpoel, L.; Design and Synthesis of a Series of Bioavailable Fatty Acid Synthase (FASN) KR Domain Inhibitors for Cancer Therapy; to be published,

Experimental method

X-RAY DIFFRACTION (2.3 Å)