Magnesium in PDB 8cgz: Tubulin-AB8939 Complex

The structure of Tubulin-AB8939 Complex, PDB code: 8cgz was solved by P.F.Varela, B.Gigant, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	126.60 / 2.53
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.692, 128.76, 253.204, 90, 90, 90
R / Rfree (%)	19.7 / 23.5

The binding sites of Magnesium atom in the Tubulin-AB8939 Complex (pdb code 8cgz). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Tubulin-AB8939 Complex, PDB code: 8cgz:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Tubulin-AB8939 Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Tubulin-AB8939 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:73.2 occ:1.00 O A:HOH708 1.9 66.2 1.0 O A:HOH706 1.9 72.3 1.0 O A:HOH701 2.0 63.4 1.0 O A:HOH705 2.1 71.2 1.0 O1G A:GTP600 2.2 73.8 1.0 O1B A:GTP600 2.3 72.0 1.0 PB A:GTP600 3.2 72.1 1.0 PG A:GTP600 3.2 73.3 1.0 O3B A:GTP600 3.4 72.9 1.0 O3A A:GTP600 3.6 72.0 1.0 OE1 A:GLU71 3.8 113.5 1.0 O2G A:GTP600 4.0 73.0 1.0 OD1 A:ASP69 4.0 93.1 1.0 OD2 A:ASP69 4.1 96.6 1.0 CB A:GLN11 4.1 70.8 1.0 CG A:GLU71 4.2 102.6 1.0 N A:GLN11 4.3 70.7 1.0 OD2 A:ASP98 4.4 104.0 1.0 CG A:ASP69 4.5 93.5 1.0 CD A:GLU71 4.5 111.5 1.0 O3G A:GTP600 4.5 73.0 1.0 CB A:ASP98 4.5 95.0 1.0 O2B A:GTP600 4.6 71.4 1.0 OE1 A:GLN11 4.7 83.4 1.0 NZ B:LYS254 4.7 89.9 1.0 PA A:GTP600 4.8 71.6 1.0 O1A A:GTP600 4.8 71.1 1.0 CA A:GLN11 4.8 70.6 1.0 CG A:ASP98 4.9 101.7 1.0 OG1 A:THR145 5.0 71.7 1.0

Magnesium binding site 2 out of 2 in the Tubulin-AB8939 Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Tubulin-AB8939 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg601 b:59.8 occ:1.00 O C:HOH705 2.0 70.0 1.0 O C:HOH707 2.1 64.6 1.0 O1G C:GTP600 2.4 66.4 1.0 O1B C:GTP600 2.4 68.1 1.0 O C:HOH702 2.9 54.6 1.0 O3A C:GTP600 2.9 68.3 1.0 PB C:GTP600 3.1 67.9 1.0 O D:HOH606 3.2 67.1 1.0 CB C:GLN11 3.5 67.4 1.0 PG C:GTP600 3.6 66.1 1.0 O1A C:GTP600 3.6 68.8 1.0 O3B C:GTP600 3.7 67.4 1.0 OE1 C:GLN11 3.8 70.9 1.0 PA C:GTP600 3.9 68.3 1.0 CD C:GLN11 4.2 69.6 1.0 OE2 C:GLU71 4.2 115.3 1.0 N C:GLN11 4.3 66.1 1.0 CG C:GLN11 4.5 68.9 1.0 O2B C:GTP600 4.5 66.9 1.0 O2A C:GTP600 4.5 68.2 1.0 CA C:GLN11 4.5 66.2 1.0 O3G C:GTP600 4.6 65.4 1.0 O2G C:GTP600 4.6 65.8 1.0 OD2 C:ASP98 4.7 89.7 1.0 NZ D:LYS254 4.7 82.8 1.0 NE2 C:GLN11 4.8 69.5 1.0 OD2 C:ASP69 4.9 88.1 1.0

M.Humbert, S.Letard, M.Neves, S.Siavoshian Jeay, A.Goubard, N.Casteran, E.Rebuffet, B.Hajem, L.Gros, P.F.Varela, B.Gigant, P.Verdier, R.Castellano, Y.Colette, N.Vey, D.Pez, A.Benjahad, A.Moussy, C.Mansfield, P.Dubreuil. Development of AB8939, A Novel Colchicine-Like Microtubule Synthetic Destabilizer with the Ability to Overcome Multidrug Resistance To Be Published.