Magnesium in PDB 4xuj: Nucleosome Core Particle Containing Adducts From Treatment with A Thiomorpholine-Substituted [(Eta-6-P-Cymene)Ru(3-Hydroxy-2-Pyridone) Cl] Compound

The structure of Nucleosome Core Particle Containing Adducts From Treatment with A Thiomorpholine-Substituted [(Eta-6-P-Cymene)Ru(3-Hydroxy-2-Pyridone) Cl] Compound, PDB code: 4xuj was solved by Z.Adhireksan, C.A.Davey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	93.89 / 3.18
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	106.426, 109.754, 181.277, 90.00, 90.00, 90.00
R / Rfree (%)	26.3 / 29.9

The structure of Nucleosome Core Particle Containing Adducts From Treatment with A Thiomorpholine-Substituted [(Eta-6-P-Cymene)Ru(3-Hydroxy-2-Pyridone) Cl] Compound also contains other interesting chemical elements:

Ruthenium

(Ru)

3 atoms

The binding sites of Magnesium atom in the Nucleosome Core Particle Containing Adducts From Treatment with A Thiomorpholine-Substituted [(Eta-6-P-Cymene)Ru(3-Hydroxy-2-Pyridone) Cl] Compound (pdb code 4xuj). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Nucleosome Core Particle Containing Adducts From Treatment with A Thiomorpholine-Substituted [(Eta-6-P-Cymene)Ru(3-Hydroxy-2-Pyridone) Cl] Compound, PDB code: 4xuj:

Magnesium binding site 1 out of 1 in the Nucleosome Core Particle Containing Adducts From Treatment with A Thiomorpholine-Substituted [(Eta-6-P-Cymene)Ru(3-Hydroxy-2-Pyridone) Cl] Compound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Nucleosome Core Particle Containing Adducts From Treatment with A Thiomorpholine-Substituted [(Eta-6-P-Cymene)Ru(3-Hydroxy-2-Pyridone) Cl] Compound within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg1001 b:66.1 occ:1.00 OD1 E:ASP77 2.3 71.0 1.0 CG E:ASP77 3.1 71.2 1.0 OD2 E:ASP77 3.2 70.1 1.0 O F:LEU22 4.3 85.2 1.0 O E:GLU73 4.3 65.7 1.0 CB E:ASP77 4.5 71.6 1.0 CG E:GLU73 4.6 65.0 1.0 OE1 E:GLN76 4.6 70.8 1.0 CA E:ASP77 4.8 71.7 1.0 N E:ASP77 4.8 70.8 1.0

M.Hanif, S.M.Meier, Z.Adhireksan, H.Henke, S.Martic, M.Labib, W.Kandioller, M.A.Jakupec, H.B.Kraatz, C.A.Davey, B.K.Keppler, C.G.Hartinger. Contrasting Cytotoxicity and Reactivity of Ruii-Arene Complexes of Morpholine Vs Thiomorpholine Substituted 3-Hydroxy-2-Pyridone Ligands To Be Published.