4Q1F

Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 12R {N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide}

Summary for 4Q1F

• Entry DOI: 10.2210/pdb4q1f/pdb
• Related: 4Q18 4Q19 4Q1A 4Q1B 4Q1C 4Q1D 4Q1E
• Descriptor: Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE, N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide, ... (4 entities in total)
• Functional Keywords: phosphoryl transfer, phosphorylation, deoxycytidine, transferase, inhibitor complex, kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Nucleus : P27707
• Total number of polymer chains: 2
• Total formula weight: 67232.88

Authors

Nomme, J.,Lavie, A. (deposition date: 2014-04-03, release date: 2014-11-05, Last modification date: 2023-09-20)

• Primary citation: Nomme, J.,Li, Z.,Gipson, R.M.,Wang, J.,Armijo, A.L.,Le, T.,Poddar, S.,Smith, T.,Santarsiero, B.D.,Nguyen, H.A.,Czernin, J.,Alexandrova, A.N.,Jung, M.E.,Radu, C.G.,Lavie, A.; Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.; J.Med.Chem., 57:9480-9494, 2014; PubMed: 25341194; DOI: 10.1021/jm501124j

Experimental method

X-RAY DIFFRACTION (2.1 Å)