Magnesium in PDB 7ttf: Tubulin-RB3_SLD in Complex with Compound 12K

The structure of Tubulin-RB3_SLD in Complex with Compound 12K, PDB code: 7ttf was solved by S.W.White, M.Yun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.55 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.695, 126.407, 250.065, 90, 90, 90
R / Rfree (%)	19.4 / 23.8

The binding sites of Magnesium atom in the Tubulin-RB3_SLD in Complex with Compound 12K (pdb code 7ttf). 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 Tubulin-RB3_SLD in Complex with Compound 12K, PDB code: 7ttf:

Magnesium binding site 1 out of 1 in the Tubulin-RB3_SLD in Complex with Compound 12K


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Tubulin-RB3_SLD in Complex with Compound 12K within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg502 b:50.8 occ:1.00 O C:HOH630 2.0 54.3 1.0 O C:HOH604 2.1 40.4 1.0 O3G C:GTP501 2.2 36.5 1.0 O C:HOH622 2.2 45.5 1.0 O C:HOH601 2.2 43.4 1.0 O2B C:GTP501 2.3 34.8 1.0 PG C:GTP501 3.4 42.1 1.0 PB C:GTP501 3.4 40.4 1.0 O3B C:GTP501 3.6 51.1 1.0 OE1 C:GLU71 3.8 75.2 1.0 O2G C:GTP501 3.9 36.9 1.0 CB C:GLN11 3.9 38.6 1.0 OD1 C:ASP69 4.0 45.2 1.0 O3A C:GTP501 4.0 42.9 1.0 OD2 C:ASP69 4.2 44.9 1.0 NZ D:LYS252 4.2 77.7 1.0 OD2 C:ASP98 4.3 44.4 1.0 N C:GLN11 4.3 39.1 1.0 OE1 C:GLN11 4.3 46.7 1.0 CG C:ASP69 4.5 48.1 1.0 CB C:ASP98 4.6 43.9 1.0 O1B C:GTP501 4.6 53.4 1.0 CA C:GLN11 4.6 38.0 1.0 O1G C:GTP501 4.6 33.4 1.0 CD C:GLU71 4.7 84.1 1.0 O2A C:GTP501 4.8 52.2 1.0 CG C:ASP98 4.8 43.1 1.0 PA C:GTP501 5.0 47.7 1.0

S.W.White, M.Yun, W.Li. Design, Synthesis, and Biological Evaluation of New Class of Pyrimidine Dihydroquinoxalone Derivatives As Tubulin Colchicine Site Binding Agents That Displayed Potent Anticancer Activity Both in Vitro and in Vivo To Be Published.