Magnesium in PDB 6k2u: Crystal Structure of THR66 Adp-Ribosylated Ubiquitin

The structure of Crystal Structure of THR66 Adp-Ribosylated Ubiquitin, PDB code: 6k2u was solved by X.Wang, Y.Zhou, Y.Zhu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.40 / 2.55
Space group	P 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	101.525, 101.525, 101.525, 90.00, 90.00, 90.00
R / Rfree (%)	23.6 / 24.7

The structure of Crystal Structure of THR66 Adp-Ribosylated Ubiquitin also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of THR66 Adp-Ribosylated Ubiquitin (pdb code 6k2u). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of THR66 Adp-Ribosylated Ubiquitin, PDB code: 6k2u:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of THR66 Adp-Ribosylated Ubiquitin


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 THR66 Adp-Ribosylated Ubiquitin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg103 b:39.4 occ:1.00 O B:HOH203 2.0 57.5 1.0 OE2 B:GLU18 2.0 61.5 1.0 O B:HOH208 2.2 63.9 1.0 OE1 B:GLU18 2.3 66.2 1.0 CD B:GLU18 2.4 66.1 1.0 O B:HOH201 3.1 54.9 1.0 CG B:GLU18 3.9 54.6 1.0 CB B:GLU18 4.9 55.1 1.0 MG B:MG104 5.0 69.6 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of THR66 Adp-Ribosylated Ubiquitin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of THR66 Adp-Ribosylated Ubiquitin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg104 b:69.6 occ:1.00 O B:HOH220 2.8 56.4 1.0 OD1 B:ASP21 3.1 63.8 1.0 OD2 B:ASP21 3.3 58.6 1.0 O B:HOH208 3.3 63.9 1.0 CG B:ASP21 3.6 59.5 1.0 NZ B:LYS29 3.6 67.3 1.0 OE1 B:GLU18 3.7 66.2 1.0 CE B:LYS29 4.1 56.6 1.0 CD B:GLU18 4.5 66.1 1.0 OD1 B:ASN25 4.8 78.4 1.0 CG B:GLU18 4.8 54.6 1.0 MG B:MG103 5.0 39.4 1.0

X.Wang, Y.Zhou, Y.Zhu. Crystal Structure of THR66 Adp-Ribosylated Ubiquitin To Be Published.