Magnesium in PDB 3mnn: A Ruthenium Antitumour Agent Forms Specific Histone Protein Adducts in the Nucleosome Core

The structure of A Ruthenium Antitumour Agent Forms Specific Histone Protein Adducts in the Nucleosome Core, PDB code: 3mnn was solved by M.S.Ong, C.A.Davey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	94.13 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	106.350, 109.860, 182.590, 90.00, 90.00, 90.00
R / Rfree (%)	24.7 / 27.7

The structure of A Ruthenium Antitumour Agent Forms Specific Histone Protein Adducts in the Nucleosome Core also contains other interesting chemical elements:

Ruthenium

(Ru)

3 atoms

The binding sites of Magnesium atom in the A Ruthenium Antitumour Agent Forms Specific Histone Protein Adducts in the Nucleosome Core (pdb code 3mnn). 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 A Ruthenium Antitumour Agent Forms Specific Histone Protein Adducts in the Nucleosome Core, PDB code: 3mnn:

Magnesium binding site 1 out of 1 in the A Ruthenium Antitumour Agent Forms Specific Histone Protein Adducts in the Nucleosome Core


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of A Ruthenium Antitumour Agent Forms Specific Histone Protein Adducts in the Nucleosome Core within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg1001 b:46.0 occ:1.00 O E:HOH137 1.8 40.5 1.0 OD1 E:ASP77 1.8 52.4 1.0 O E:HOH138 2.1 39.1 1.0 O E:HOH136 2.1 51.5 1.0 O F:HOH103 2.2 40.6 1.0 CG E:ASP77 2.8 51.4 1.0 OD2 E:ASP77 3.1 51.9 1.0 CB E:ASP77 4.2 49.8 1.0 O F:LEU22 4.3 58.4 1.0 O E:GLU73 4.4 46.8 1.0 OE1 E:GLN76 4.4 53.6 1.0 N E:ASP77 4.4 50.2 1.0 CA E:ASP77 4.5 50.7 1.0 CG E:GLU73 4.6 44.9 1.0

B.Wu, M.S.Ong, M.Groessl, Z.Adhireksan, C.G.Hartinger, P.J.Dyson, C.A.Davey. A Ruthenium Antimetastasis Agent Forms Specific Histone Protein Adducts in the Nucleosome Core Chemistry V. 17 3562 2011.
ISSN: ISSN 0947-6539
PubMed: 21344528
DOI: 10.1002/CHEM.201100298