5LWM

Crystal structure of JAK3 in complex with Compound 4 (FM381)

Summary for 5LWM

• Entry DOI: 10.2210/pdb5lwm/pdb
• Descriptor: Tyrosine-protein kinase JAK3, 2-cyano-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl)furan-2-yl]-~{N},~{N}-dimethyl-prop-2-enamide, 1-phenylurea, ... (5 entities in total)
• Functional Keywords: transferase, kinase, jak3, covalent inhibitor, reversible covalent inhibitor, induced pocket, arginine pocket, structural genomics, structural genomics consortium, sgc
• Biological source: Homo sapiens (Human)
• Cellular location: Endomembrane system ; Peripheral membrane protein : P52333
• Total number of polymer chains: 1
• Total formula weight: 34354.33

Authors

Chaikuad, A.,Forster, M.,Mukhopadhyay, S.,Kupinska, K.,Ellis, K.,Mahajan, P.,Burgess-Brown, N.,Edwards, A.M.,Arrowsmith, C.H.,Bountra, C.,Laufer, S.A.,Knapp, S.,Structural Genomics Consortium (SGC) (deposition date: 2016-09-18, release date: 2016-10-26, Last modification date: 2024-05-08)

• Primary citation: Forster, M.,Chaikuad, A.,Bauer, S.M.,Holstein, J.,Robers, M.B.,Corona, C.R.,Gehringer, M.,Pfaffenrot, E.,Ghoreschi, K.,Knapp, S.,Laufer, S.A.; Selective JAK3 Inhibitors with a Covalent Reversible Binding Mode Targeting a New Induced Fit Binding Pocket.; Cell Chem Biol, 23:1335-1340, 2016; PubMed: 27840070; DOI: 10.1016/j.chembiol.2016.10.008

Experimental method

X-RAY DIFFRACTION (1.55 Å)