Ruthenium in PDB 3m1s: Structure of Ruthenium Half-Sandwich Complex Bound to Glycogen Synthase Kinase 3

All present enzymatic activity of Structure of Ruthenium Half-Sandwich Complex Bound to Glycogen Synthase Kinase 3:
2.7.11.26;

The structure of Structure of Ruthenium Half-Sandwich Complex Bound to Glycogen Synthase Kinase 3, PDB code: 3m1s was solved by G.E.Atilla-Gokcumen, L.Di Costanzo, G.Zimmermann, E.Meggers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.22 / 3.13
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	83.041, 86.114, 177.398, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 22.8

The binding sites of Ruthenium atom in the Structure of Ruthenium Half-Sandwich Complex Bound to Glycogen Synthase Kinase 3 (pdb code 3m1s). This binding sites where shown within 5.0 Angstroms radius around Ruthenium atom.
In total 2 binding sites of Ruthenium where determined in the Structure of Ruthenium Half-Sandwich Complex Bound to Glycogen Synthase Kinase 3, PDB code: 3m1s:
Jump to Ruthenium binding site number: 1; 2;

Ruthenium binding site 1 out of 2 in the Structure of Ruthenium Half-Sandwich Complex Bound to Glycogen Synthase Kinase 3


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 1 of Structure of Ruthenium Half-Sandwich Complex Bound to Glycogen Synthase Kinase 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru421 b:40.5 occ:1.00 RU A:DW1421 0.0 40.5 1.0 C10 A:DW1421 1.8 42.0 1.0 N18 A:DW1421 2.1 33.2 1.0 N20 A:DW1421 2.1 40.3 1.0 C13 A:DW1421 2.2 44.5 1.0 C12 A:DW1421 2.2 46.2 1.0 C14 A:DW1421 2.2 40.6 1.0 C17 A:DW1421 2.2 38.7 1.0 C16 A:DW1421 2.2 36.5 1.0 C21 A:DW1421 2.9 38.3 1.0 C7 A:DW1421 2.9 38.4 1.0 O11 A:DW1421 3.0 44.6 1.0 C6 A:DW1421 3.1 42.3 1.0 C22 A:DW1421 3.3 35.9 1.0 C23 A:DW1421 4.0 39.0 1.0 C28 A:DW1421 4.1 39.9 1.0 C3 A:DW1421 4.3 39.1 1.0 C27 A:DW1421 4.4 40.1 1.0 C5 A:DW1421 4.4 36.2 1.0 CE1 A:PHE67 4.5 54.6 1.0 CZ A:PHE67 4.6 50.9 1.0 CG2 A:ILE62 4.8 40.1 1.0 C4 A:DW1421 4.9 39.1 1.0

Ruthenium binding site 2 out of 2 in the Structure of Ruthenium Half-Sandwich Complex Bound to Glycogen Synthase Kinase 3


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 2 of Structure of Ruthenium Half-Sandwich Complex Bound to Glycogen Synthase Kinase 3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ru421 b:43.7 occ:1.00 RU B:DW1421 0.0 43.7 1.0 C10 B:DW1421 1.8 39.0 1.0 N18 B:DW1421 2.1 47.8 1.0 N20 B:DW1421 2.1 49.5 1.0 C13 B:DW1421 2.2 46.2 1.0 C12 B:DW1421 2.2 53.4 1.0 C14 B:DW1421 2.2 44.9 1.0 C17 B:DW1421 2.2 40.1 1.0 C16 B:DW1421 2.2 45.9 1.0 C21 B:DW1421 2.9 46.9 1.0 C7 B:DW1421 2.9 44.9 1.0 O11 B:DW1421 3.0 41.4 1.0 C6 B:DW1421 3.1 50.4 1.0 C22 B:DW1421 3.3 41.8 1.0 C23 B:DW1421 3.9 41.2 1.0 C28 B:DW1421 4.2 43.9 1.0 C3 B:DW1421 4.3 45.0 1.0 CZ B:PHE67 4.3 51.2 1.0 C27 B:DW1421 4.4 38.7 1.0 C5 B:DW1421 4.4 38.9 1.0 CE1 B:PHE67 4.6 51.5 1.0 CE2 B:PHE67 4.7 47.3 1.0 C4 B:DW1421 4.9 41.7 1.0

G.E.Atilla-Gokcumen, L.Di Costanzo, E.Meggers. Structure of Anticancer Ruthenium Half-Sandwich Complex Bound to Glycogen Synthase Kinase 3BETA J.Biol.Inorg.Chem. V. 16 45 2011.
ISSN: ISSN 0949-8257
PubMed: 20821241
DOI: 10.1007/S00775-010-0699-X