Magnesium in PDB 4wu8: Structure of Trptnap-NCP145

The structure of Structure of Trptnap-NCP145, PDB code: 4wu8 was solved by E.Y.D.Chua, C.A.Davey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	94.05 / 2.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	106.410, 109.630, 183.010, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 26.3

The structure of Structure of Trptnap-NCP145 also contains other interesting chemical elements:

Platinum

(Pt)

3 atoms

The binding sites of Magnesium atom in the Structure of Trptnap-NCP145 (pdb code 4wu8). 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 Structure of Trptnap-NCP145, PDB code: 4wu8:

Magnesium binding site 1 out of 1 in the Structure of Trptnap-NCP145


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Trptnap-NCP145 within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg201 b:30.6 occ:1.00 OD1 E:ASP77 2.0 32.1 1.0 O E:HOH301 2.3 32.2 1.0 O E:HOH302 2.3 47.6 1.0 CG E:ASP77 3.1 37.1 1.0 OD2 E:ASP77 3.6 39.1 1.0 OE1 E:GLN76 4.1 47.8 1.0 O F:LEU22 4.2 40.4 1.0 CB E:ASP77 4.5 31.8 1.0 N E:ASP77 4.5 32.1 1.0 O E:GLU73 4.5 37.6 1.0 CA E:ASP77 4.6 34.2 1.0 CG E:GLN76 4.8 45.3 1.0 CG E:GLU73 4.8 27.8 1.0 CD E:GLN76 4.9 46.4 1.0 CB E:GLN76 4.9 39.2 1.0

E.Y.Chua, G.E.Davey, C.F.Chin, P.Droge, W.H.Ang, C.A.Davey. Stereochemical Control of Nucleosome Targeting By Platinum-Intercalator Antitumor Agents. Nucleic Acids Res. V. 43 5284 2015.
ISSN: ESSN 1362-4962
PubMed: 25916851
DOI: 10.1093/NAR/GKV356