Ruthenium in PDB 2jld: Extremely Tight Binding of Ruthenium Complex to Glycogen Synthase Kinase 3

All present enzymatic activity of Extremely Tight Binding of Ruthenium Complex to Glycogen Synthase Kinase 3:
2.7.11.26;

The structure of Extremely Tight Binding of Ruthenium Complex to Glycogen Synthase Kinase 3, PDB code: 2jld was solved by G.E.Atilla-Gokcumen, N.Pagano, C.Streu, J.Maksimoska, P.Filippakopoulos, S.Knapp, E.Meggers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	88.74 / 2.35
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 (%)	19 / 22.7

The structure of Extremely Tight Binding of Ruthenium Complex to Glycogen Synthase Kinase 3 also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Ruthenium atom in the Extremely Tight Binding of Ruthenium Complex to Glycogen Synthase Kinase 3 (pdb code 2jld). This binding sites where shown within 5.0 Angstroms radius around Ruthenium atom.
In total 2 binding sites of Ruthenium where determined in the Extremely Tight Binding of Ruthenium Complex to Glycogen Synthase Kinase 3, PDB code: 2jld:
Jump to Ruthenium binding site number: 1; 2;

Ruthenium binding site 1 out of 2 in the Extremely Tight Binding of Ruthenium Complex 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 Extremely Tight Binding of Ruthenium Complex to Glycogen Synthase Kinase 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru1385 b:35.9 occ:1.00 RU A:AG11385 0.0 35.9 1.0 C12 A:AG11385 2.0 23.2 1.0 N21 A:AG11385 2.1 36.9 1.0 N19 A:AG11385 2.1 33.9 1.0 C14 A:AG11385 2.2 37.9 1.0 C18 A:AG11385 2.2 34.6 1.0 C15 A:AG11385 2.2 32.9 1.0 C17 A:AG11385 2.2 34.1 1.0 C16 A:AG11385 2.3 28.3 1.0 C22 A:AG11385 2.8 45.0 1.0 C40 A:AG11385 2.9 37.1 1.0 O13 A:AG11385 3.1 42.9 1.0 C38 A:AG11385 3.1 34.0 1.0 C23 A:AG11385 3.1 32.8 1.0 C3 A:AG11385 3.2 39.9 1.0 C24 A:AG11385 3.8 33.7 1.0 O9 A:AG11385 3.8 50.2 1.0 N4 A:AG11385 3.9 51.8 1.0 C29 A:AG11385 4.1 49.0 1.0 C28 A:AG11385 4.3 33.0 1.0 C34 A:AG11385 4.3 45.5 1.0 CZ A:PHE67 4.3 38.8 1.0 C37 A:AG11385 4.4 32.1 1.0 CE1 A:PHE67 4.6 35.1 1.0 CE2 A:PHE67 4.7 30.1 1.0 O A:HOH2035 4.9 37.4 1.0 C36 A:AG11385 4.9 27.9 1.0 O A:GLN185 4.9 16.8 1.0

Ruthenium binding site 2 out of 2 in the Extremely Tight Binding of Ruthenium Complex 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 Extremely Tight Binding of Ruthenium Complex to Glycogen Synthase Kinase 3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ru1385 b:35.0 occ:1.00 RU B:AG11385 0.0 35.0 1.0 C12 B:AG11385 2.0 29.9 1.0 N21 B:AG11385 2.1 34.2 1.0 N19 B:AG11385 2.1 41.6 1.0 C14 B:AG11385 2.2 48.7 1.0 C18 B:AG11385 2.2 32.3 1.0 C15 B:AG11385 2.2 37.2 1.0 C17 B:AG11385 2.2 33.5 1.0 C16 B:AG11385 2.2 31.9 1.0 C22 B:AG11385 2.8 41.5 1.0 C40 B:AG11385 2.9 37.1 1.0 O13 B:AG11385 3.1 44.0 1.0 C38 B:AG11385 3.1 38.0 1.0 C23 B:AG11385 3.2 43.1 1.0 C3 B:AG11385 3.2 33.6 1.0 C24 B:AG11385 3.8 36.2 1.0 O9 B:AG11385 3.8 39.8 1.0 N4 B:AG11385 4.0 48.2 1.0 C29 B:AG11385 4.1 37.3 1.0 C28 B:AG11385 4.3 32.8 1.0 CZ B:PHE67 4.3 40.1 1.0 C34 B:AG11385 4.3 46.9 1.0 C37 B:AG11385 4.4 39.7 1.0 C10 B:AG11385 4.4 51.2 1.0 CE1 B:PHE67 4.6 34.5 1.0 C6 B:AG11385 4.7 82.0 1.0 CE2 B:PHE67 4.7 28.2 1.0 O B:HOH2039 4.8 33.3 1.0 C36 B:AG11385 4.9 37.5 1.0 CG2 B:VAL70 5.0 14.5 1.0

G.E.Atilla-Gokcumen, N.Pagano, C.Streu, J.Maksimoska, P.Filippakopoulos, S.Knapp, E.Meggers. Extremely Tight Binding of A Ruthenium Complex to Glycogen Synthase Kinase 3. Chembiochem V. 9 2933 2008.
ISSN: ISSN 1439-4227
PubMed: 19035373
DOI: 10.1002/CBIC.200800489