Ruthenium in PDB 4as0: Cyclometalated Phthalimides As Protein Kinase Inhibitors

All present enzymatic activity of Cyclometalated Phthalimides As Protein Kinase Inhibitors:
2.7.11.1;

The structure of Cyclometalated Phthalimides As Protein Kinase Inhibitors, PDB code: 4as0 was solved by S.Blanck, Y.Geisselbrecht, S.Middel, T.Mietke, K.Harms, L.-O.Essen, E.Meggers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.80 / 2.30
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	99.200, 99.200, 80.600, 90.00, 90.00, 120.00
R / Rfree (%)	17.06 / 20.127

The binding sites of Ruthenium atom in the Cyclometalated Phthalimides As Protein Kinase Inhibitors (pdb code 4as0). This binding sites where shown within 5.0 Angstroms radius around Ruthenium atom.
In total only one binding site of Ruthenium was determined in the Cyclometalated Phthalimides As Protein Kinase Inhibitors, PDB code: 4as0:

Ruthenium binding site 1 out of 1 in the Cyclometalated Phthalimides As Protein Kinase Inhibitors


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 1 of Cyclometalated Phthalimides As Protein Kinase Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru1306 b:29.3 occ:1.00 RU1 A:RPS1306 0.0 29.3 1.0 C15 A:RPS1306 1.8 32.6 1.0 N49 A:RPS1306 1.8 32.1 1.0 C32 A:RPS1306 1.9 31.6 1.0 S9 A:RPS1306 2.0 33.7 1.0 S5 A:RPS1306 2.1 36.8 1.0 S2 A:RPS1306 2.3 34.4 1.0 C35 A:RPS1306 2.6 31.2 1.0 C34 A:RPS1306 2.7 30.2 1.0 C40 A:RPS1306 2.8 34.7 1.0 O3 A:RPS1306 2.9 28.8 1.0 C30 A:RPS1306 3.0 31.0 1.0 C10 A:RPS1306 3.0 34.7 1.0 C8 A:RPS1306 3.0 36.4 1.0 C4 A:RPS1306 3.1 36.8 1.0 C6 A:RPS1306 3.1 33.9 1.0 C7 A:RPS1306 3.1 35.1 1.0 C3 A:RPS1306 3.2 35.7 1.0 C37 A:RPS1306 4.0 35.5 1.0 C39 A:RPS1306 4.1 36.6 1.0 C25 A:RPS1306 4.1 30.9 1.0 C29 A:RPS1306 4.2 33.3 1.0 C38 A:RPS1306 4.6 36.0 1.0 C26 A:RPS1306 4.7 33.1 1.0

S.Blanck, Y.Geisselbrecht, K.Kraling, S.Middel, T.Mietke, K.Harms, L.-O.Essen, E.Meggers. Bioactive Cyclometalated Phthalimides: Design, Synthesis and Kinase Inhibition. Dalton Trans V. 41 9337 2012.
ISSN: ISSN 1477-9226
PubMed: 22733119
DOI: 10.1039/C2DT30940H