3m1s | pdb_00003m1s

Structure of Ruthenium Half-Sandwich Complex Bound to Glycogen Synthase Kinase 3

spinqualitylabelsall models 3m1s, resolution 3.13Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 3m1s is a 2 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: DW1 Gene: GSK3B (Homo sapiens) Activity: [Tau_protein_kinase [Tau protein] kinase], with EC number 2.7.11.26 Resources: FirstGlance, OCA, RCSB, PDBsum Publication Abstract from PubMed The 3.15-A-resolution crystal structure of the R enantiomer of the highly bioactive and antiproliferative half-sandwich ruthenium complex DW12 bound to the ATP binding site of glycogen synthase kinase 3beta (GSK-3beta) is reported and the binding is compared with the GSK-3beta binding of staurosporine and other organic inhibitors. The structure reveals a close packing of the organometallic inhibitor in the ATP binding site of GSK-3beta via an induced-fit mechanism. The molecular structure of (R)-DW12 with the CO ligand oriented perpendicular to the pyridocarbazole heterocycle allows the complex to stretch the whole distance sandwiched between the faces of the N- and C-terminal lobes and to interact tightly with the flexible glycine-rich loop, which is uncommon for the interaction of GSK-3beta with organic inhibitors. Structure of anticancer ruthenium half-sandwich complex bound to glycogen synthase kinase 3beta.,Atilla-Gokcumen GE, Di Costanzo L, Meggers E J Biol Inorg Chem. 2010 Sep 7. PMID:20821241 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Glycogen synthase kinase 3

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