Magnesium in PDB 4kgc: Nucleosome Core Particle Containing (ETA6-P-Cymene)-(1, 2- Ethylenediamine)-Ruthenium

The structure of Nucleosome Core Particle Containing (ETA6-P-Cymene)-(1, 2- Ethylenediamine)-Ruthenium, PDB code: 4kgc 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)	60.60 / 2.69
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	106.620, 109.710, 181.940, 90.00, 90.00, 90.00
R / Rfree (%)	24.8 / 28.2

The structure of Nucleosome Core Particle Containing (ETA6-P-Cymene)-(1, 2- Ethylenediamine)-Ruthenium also contains other interesting chemical elements:

Ruthenium

(Ru)

4 atoms

The binding sites of Magnesium atom in the Nucleosome Core Particle Containing (ETA6-P-Cymene)-(1, 2- Ethylenediamine)-Ruthenium (pdb code 4kgc). 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 (ETA6-P-Cymene)-(1, 2- Ethylenediamine)-Ruthenium, PDB code: 4kgc:

Magnesium binding site 1 out of 1 in the Nucleosome Core Particle Containing (ETA6-P-Cymene)-(1, 2- Ethylenediamine)-Ruthenium


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 (ETA6-P-Cymene)-(1, 2- Ethylenediamine)-Ruthenium within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg201 b:58.4 occ:1.00 OD1 E:ASP77 2.3 54.0 1.0 CG E:ASP77 3.2 53.0 1.0 OD2 E:ASP77 3.4 54.3 1.0 O F:LEU22 4.1 60.4 1.0 OE1 E:GLN76 4.1 55.9 1.0 CB E:ASP77 4.6 52.6 1.0 O E:GLU73 4.6 45.5 1.0 CG E:GLU73 4.7 42.7 1.0 N E:ASP77 4.8 52.4 1.0 CA E:ASP77 4.9 53.3 1.0

Z.Adhireksan, G.E.Davey, P.Campomanes, M.Groessl, C.M.Clavel, H.Yu, A.A.Nazarov, C.H.Yeo, W.H.Ang, P.Droge, U.Rothlisberger, P.J.Dyson, C.A.Davey. Ligand Substitutions Between Ruthenium-Cymene Compounds Can Control Protein Versus Dna Targeting and Anticancer Activity Nat Commun V. 5 3462 2014.
ISSN: ESSN 2041-1723
PubMed: 24637564
DOI: 10.1038/NCOMMS4462