Magnesium in PDB 7dbd: 444 in Complex with Tubulin

The structure of 444 in Complex with Tubulin, PDB code: 7dbd was solved by C.Y.Wu, Y.X.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.87 / 3.09
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.641, 158.289, 182.307, 90, 90, 90
R / Rfree (%)	19 / 24.4

The structure of 444 in Complex with Tubulin also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Magnesium atom in the 444 in Complex with Tubulin (pdb code 7dbd). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the 444 in Complex with Tubulin, PDB code: 7dbd:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the 444 in Complex with Tubulin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 444 in Complex with Tubulin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:50.8 occ:1.00 O1G A:GTP501 2.0 42.9 1.0 O1B A:GTP501 2.2 51.9 1.0 OE1 A:GLU71 3.4 69.5 1.0 PG A:GTP501 3.5 56.3 1.0 PB A:GTP501 3.6 55.5 1.0 CB A:GLN11 3.8 49.5 1.0 OD1 A:ASP69 4.0 51.1 1.0 OD2 A:ASP69 4.0 63.5 1.0 O3B A:GTP501 4.1 51.8 1.0 OE1 A:GLN11 4.3 46.3 1.0 O2G A:GTP501 4.3 49.5 1.0 N A:GLN11 4.3 45.2 1.0 O2A A:GTP501 4.4 47.3 1.0 O3A A:GTP501 4.5 52.5 1.0 CG A:ASP69 4.5 55.7 1.0 NZ B:LYS252 4.6 58.2 1.0 CD A:GLU71 4.6 64.5 1.0 CA A:GLN11 4.6 48.4 1.0 O3G A:GTP501 4.6 37.1 1.0 CB A:GLU71 4.8 54.1 1.0 O2B A:GTP501 4.8 46.6 1.0 CB A:ASP98 4.8 52.0 1.0 CD A:GLN11 4.9 45.7 1.0 CG A:GLN11 5.0 46.4 1.0 PA A:GTP501 5.0 46.0 1.0

Magnesium binding site 2 out of 4 in the 444 in Complex with Tubulin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 444 in Complex with Tubulin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:54.7 occ:1.00 OE1 B:GLN11 2.2 80.4 1.0 O1A B:GDP503 2.4 55.1 1.0 CD B:GLN11 3.4 68.1 1.0 OD2 B:ASP177 3.8 55.5 1.0 OE2 C:GLU254 3.9 80.3 1.0 PA B:GDP503 3.9 46.2 1.0 NE2 B:GLN11 4.2 60.7 1.0 OD1 B:ASN99 4.2 55.6 1.0 CB B:GLN11 4.4 49.6 1.0 CG B:GLN11 4.5 47.6 1.0 O3B B:GDP503 4.6 30.8 1.0 O3A B:GDP503 4.6 45.9 1.0 ND2 B:ASN99 4.7 54.9 1.0 CD C:GLU254 4.8 62.5 1.0 CG B:ASN99 4.8 54.4 1.0 O2A B:GDP503 4.9 43.9 1.0 O1B B:GDP503 4.9 42.6 1.0 CG B:ASP177 4.9 51.9 1.0 PB B:GDP503 4.9 41.7 1.0 O5' B:GDP503 4.9 33.7 1.0 C5' B:GDP503 5.0 38.2 1.0

Magnesium binding site 3 out of 4 in the 444 in Complex with Tubulin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of 444 in Complex with Tubulin within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg502 b:47.0 occ:1.00 O1B C:GTP501 2.2 46.2 1.0 O1G C:GTP501 2.2 48.7 1.0 OE1 C:GLU71 3.0 72.4 1.0 PB C:GTP501 3.6 37.1 1.0 PG C:GTP501 3.7 46.2 1.0 OD1 C:ASP69 4.1 46.2 1.0 CB C:GLN11 4.1 36.6 1.0 O3B C:GTP501 4.1 40.8 1.0 CD C:GLU71 4.2 63.0 1.0 OD2 C:ASP69 4.2 43.0 1.0 O2A C:GTP501 4.4 43.8 1.0 NZ D:LYS252 4.4 65.0 1.0 O3A C:GTP501 4.4 44.1 1.0 N C:GLN11 4.4 41.9 1.0 O2G C:GTP501 4.6 44.2 1.0 CG C:ASP69 4.6 45.0 1.0 O3G C:GTP501 4.6 31.7 1.0 CB C:ASP98 4.6 54.2 1.0 OE1 C:GLN11 4.7 51.0 1.0 CB C:GLU71 4.7 45.6 1.0 O2B C:GTP501 4.7 40.6 1.0 CA C:GLN11 4.8 37.5 1.0 OD2 C:ASP98 4.9 68.1 1.0 CG2 C:VAL74 4.9 52.4 1.0

Magnesium binding site 4 out of 4 in the 444 in Complex with Tubulin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of 444 in Complex with Tubulin within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg402 b:97.3 occ:1.00 O2G F:ACP401 2.4 103.1 1.0 NH2 F:ARG202 2.9 87.8 1.0 O2B F:ACP401 3.2 101.0 1.0 NH2 F:ARG222 3.4 82.7 1.0 OD2 F:ASP318 3.6 86.7 1.0 PG F:ACP401 3.9 123.8 1.0 NH1 F:ARG222 3.9 76.6 1.0 CZ F:ARG222 4.1 81.6 1.0 CZ F:ARG202 4.1 75.8 1.0 O3G F:ACP401 4.3 112.5 1.0 PB F:ACP401 4.4 116.9 1.0 O1B F:ACP401 4.4 111.1 1.0 CG F:ASP318 4.4 83.6 1.0 OD1 F:ASP318 4.5 78.4 1.0 NE F:ARG202 4.6 66.3 1.0 O1G F:ACP401 4.7 108.8 1.0 O1A F:ACP401 4.9 103.7 1.0 C3B F:ACP401 5.0 101.9 1.0

C.Y.Wu, Y.X.Wang. 444 in Complex with Tubulin To Be Published.