3WE4

Crystal structure of S6K1 kinase domain in complex with a pyrimidine derivative PF-4708671 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole

Summary for 3WE4

• Entry DOI: 10.2210/pdb3we4/pdb
• Related: 3WF5 3WF6 3WF7 3WF8 3WF9
• Descriptor: Ribosomal protein S6 kinase beta-1, ZINC ION, 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, ... (4 entities in total)
• Functional Keywords: serine/threonine protein kinase domain, transferase, phosphorylation, atp-binding, zinc-binding, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cell junction, synapse, synaptosome . Isoform Alpha I: Nucleus. Isoform Alpha II: Cytoplasm: P23443
• Total number of polymer chains: 1
• Total formula weight: 37634.63

Authors

Niwa, H.,Shirouzu, M.,Yokoyama, S. (deposition date: 2013-06-29, release date: 2014-08-06, Last modification date: 2023-11-08)

• Primary citation: Niwa, H.,Mikuni, J.,Sasaki, S.,Tomabechi, Y.,Honda, K.,Ikeda, M.,Ohsawa, N.,Wakiyama, M.,Handa, N.,Shirouzu, M.,Honma, T.,Tanaka, A.,Yokoyama, S.; Crystal structures of the S6K1 kinase domain in complexes with inhibitors; J.Struct.Funct.Genom., 15:153-164, 2014; PubMed: 25078151; DOI: 10.1007/s10969-014-9188-8

Experimental method

X-RAY DIFFRACTION (1.995 Å)