Magnesium in PDB 6th4: Tubulin-Inhibitor Complex

The structure of Tubulin-Inhibitor Complex, PDB code: 6th4 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)	126.00 / 2.12
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.124, 128.304, 252.718, 90, 90, 90
R / Rfree (%)	19.2 / 22.6

The binding sites of Magnesium atom in the Tubulin-Inhibitor Complex (pdb code 6th4). 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-Inhibitor Complex, PDB code: 6th4:
Jump to Magnesium binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Tubulin-Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg503 b:50.1 occ:1.00 O A:HOH608 1.9 36.1 1.0 O A:HOH605 2.0 50.9 1.0 O A:HOH607 2.0 47.2 1.0 O1G A:GTP502 2.1 48.3 1.0 O1B A:GTP502 2.1 48.8 1.0 O A:HOH602 2.3 53.6 1.0 PG A:GTP502 3.0 48.4 1.0 PB A:GTP502 3.2 48.7 1.0 O3B A:GTP502 3.3 48.8 1.0 O3G A:GTP502 3.5 48.3 1.0 OE1 A:GLU71 3.8 74.0 1.0 OD1 A:ASP69 3.9 61.4 1.0 OD2 A:ASP98 3.9 62.1 1.0 O3A A:GTP502 4.0 48.9 1.0 NZ B:LYS254 4.1 65.5 1.0 CB A:ASP98 4.2 56.2 1.0 OD2 A:ASP69 4.2 62.0 1.0 CB A:GLN11 4.3 47.4 1.0 O2G A:GTP502 4.4 48.1 1.0 N A:GLN11 4.4 46.2 1.0 CG A:ASP98 4.4 60.2 1.0 O2B A:GTP502 4.4 48.1 1.0 CG A:ASP69 4.5 61.0 1.0 O1A A:GTP502 4.6 49.1 1.0 OG1 A:THR145 4.9 44.4 1.0 PA A:GTP502 4.9 49.0 1.0 OE1 A:GLN11 5.0 54.1 1.0 CD A:GLU71 5.0 73.8 1.0 CA A:GLN11 5.0 46.7 1.0

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


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Tubulin-Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg501 b:46.9 occ:1.00 O C:HOH614 2.0 25.3 1.0 O2G C:GTP503 2.2 43.2 1.0 O C:HOH611 2.4 46.0 1.0 O1B C:GTP503 2.4 43.9 1.0 PB C:GTP503 3.4 43.5 1.0 O C:HOH612 3.4 43.0 1.0 NZ D:LYS254 3.4 62.9 1.0 O3A C:GTP503 3.5 43.6 1.0 PG C:GTP503 3.5 43.6 1.0 O1A C:GTP503 3.7 44.1 1.0 O3B C:GTP503 3.8 43.6 1.0 CB C:GLN11 3.8 45.3 1.0 OE1 C:GLN11 3.9 54.2 1.0 PA C:GTP503 4.1 44.3 1.0 O C:HOH606 4.2 49.4 1.0 O1G C:GTP503 4.4 43.5 1.0 OD1 D:ASN249 4.4 77.6 1.0 ND2 D:ASN249 4.4 76.8 1.0 OD2 C:ASP98 4.5 55.1 1.0 O3G C:GTP503 4.5 43.6 1.0 OE1 C:GLU71 4.5 69.9 1.0 CD C:GLN11 4.5 51.6 1.0 N C:GLN11 4.6 44.5 1.0 CE D:LYS254 4.7 60.8 1.0 O2B C:GTP503 4.7 43.8 1.0 CG C:GLN11 4.8 48.2 1.0 CG D:ASN249 4.8 76.0 1.0 CA C:GLN11 4.9 44.7 1.0 O2A C:GTP503 4.9 44.6 1.0

A.Stein, P.Thomopoulou, C.Frias, N.Wilke, A.Mariappan, J.M.Neudorfl, A.Y.Fedorov, J.Gopalakrishnan, P.F.Varela, B.Gigant, A.Prokop, H.G.Schmalz. The B-Nor-Methylene Colchicinoid Pt-100 Selectively Induces Apoptosis in Multidrug Resistant Cancer Cells at Low Nanomolar Concentration To Be Published.