Magnesium in PDB 7odn: Crystal Structure of TD1-Mebendazole Complex

The structure of Crystal Structure of TD1-Mebendazole Complex, PDB code: 7odn was solved by M.A.Oliva, F.Bonato, J.F.Diaz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.11 / 2.33
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.441, 91.39, 82.671, 90, 97.23, 90
R / Rfree (%)	19 / 22.8

The structure of Crystal Structure of TD1-Mebendazole Complex also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of TD1-Mebendazole Complex (pdb code 7odn). 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 Crystal Structure of TD1-Mebendazole Complex, PDB code: 7odn:

Magnesium binding site 1 out of 1 in the Crystal Structure of TD1-Mebendazole Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of TD1-Mebendazole Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:36.7 occ:1.00 O1G A:GTP501 2.0 31.6 1.0 O A:HOH628 2.1 34.3 1.0 O A:HOH627 2.1 34.4 1.0 O A:HOH610 2.1 37.0 1.0 O A:HOH638 2.1 33.4 1.0 O2B A:GTP501 2.2 32.9 1.0 PG A:GTP501 3.2 33.9 1.0 HZ1 B:LYS254 3.2 42.0 1.0 PB A:GTP501 3.2 31.8 1.0 HB2 A:GLN11 3.4 32.2 1.0 O3B A:GTP501 3.5 36.4 1.0 H A:GLN11 3.6 34.1 1.0 O3A A:GTP501 3.7 32.7 1.0 O2G A:GTP501 3.7 32.9 1.0 HB2 A:ASP98 3.9 33.9 1.0 HG2 A:GLU71 3.9 39.7 1.0 NZ B:LYS254 4.0 44.3 1.0 HG3 A:GLU71 4.0 39.7 1.0 OD1 A:ASP69 4.0 30.0 1.0 HB3 A:GLN11 4.1 32.2 1.0 HZ2 B:LYS254 4.1 42.0 1.0 OE2 A:GLU71 4.1 44.5 1.0 HZ3 B:LYS254 4.1 42.0 1.0 CB A:GLN11 4.2 32.1 1.0 OD2 A:ASP98 4.2 35.0 1.0 OD2 A:ASP69 4.2 33.2 1.0 CG A:GLU71 4.3 40.5 1.0 N A:GLN11 4.4 33.8 1.0 HB3 A:ASP98 4.4 33.9 1.0 O3G A:GTP501 4.4 33.0 1.0 O2A A:GTP501 4.5 33.2 1.0 CB A:ASP98 4.5 32.1 1.0 CG A:ASP69 4.6 33.1 1.0 O1B A:GTP501 4.6 34.0 1.0 OE1 A:GLN11 4.6 44.8 1.0 HG1 A:THR145 4.7 33.1 1.0 HB A:THR145 4.7 34.2 1.0 PA A:GTP501 4.7 32.6 1.0 CD A:GLU71 4.7 42.1 1.0 O B:HOH615 4.7 40.0 1.0 HA2 A:GLY10 4.8 33.5 1.0 CG A:ASP98 4.8 35.6 1.0 CA A:GLN11 4.9 35.0 1.0

M.A.Oliva, C.Tosat-Bitrian, L.Barrado-Gil, F.Bonato, I.Galindo, U.Garaigorta, B.Alvarez-Bernad, R.Paris-Ogayar, D.Lucena-Agell, J.F.Gimenez-Abian, I.Garcia-Dorival, J.Urquiza, P.Gastaminza, J.F.Diaz, V.Palomo, C.Alonso. Effect of Clinically Used Microtubule Targeting Drugs on Viral Infection and Transport Function. Int J Mol Sci V. 23 2022.
ISSN: ESSN 1422-0067
PubMed: 35408808
DOI: 10.3390/IJMS23073448