Magnesium in PDB 6p01: Apo Structure of the E52D Mutant of Ant-4

The structure of Apo Structure of the E52D Mutant of Ant-4, PDB code: 6p01 was solved by B.Selvaraj, M.J.Cuneo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.19 / 1.89
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.340, 97.040, 100.850, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 20.6

The structure of Apo Structure of the E52D Mutant of Ant-4 also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Magnesium atom in the Apo Structure of the E52D Mutant of Ant-4 (pdb code 6p01). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Apo Structure of the E52D Mutant of Ant-4, PDB code: 6p01:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Apo Structure of the E52D Mutant of Ant-4


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Apo Structure of the E52D Mutant of Ant-4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg305 b:40.2 occ:1.00 O B:HOH457 2.5 42.2 1.0 OE1 B:GLU145 2.5 34.0 1.0 O A:HOH426 2.5 36.2 1.0 OD1 A:ASP52 2.7 31.4 1.0 OE1 A:GLU76 2.7 39.0 1.0 NZ A:LYS74 2.8 26.9 1.0 O A:HOH438 3.2 18.1 1.0 OD2 A:ASP50 3.3 39.7 1.0 CG A:ASP52 3.5 29.2 1.0 O B:HOH556 3.6 45.2 1.0 CD B:GLU145 3.7 34.4 1.0 OD2 A:ASP52 3.7 37.5 1.0 O B:HOH432 3.8 32.2 1.0 CD A:GLU76 3.9 35.2 1.0 CB A:GLU76 4.1 14.4 1.0 CG A:ASP50 4.1 27.2 1.0 CE A:LYS74 4.3 25.2 1.0 OE1 A:GLU67 4.3 24.1 1.0 OE2 B:GLU145 4.3 45.2 1.0 OD1 A:ASP50 4.5 51.8 1.0 O B:HOH592 4.6 45.6 1.0 CG A:GLU76 4.7 23.2 1.0 CG B:GLU145 4.7 28.7 1.0 OE2 A:GLU76 4.8 41.4 1.0 CB A:ASP52 4.9 17.1 1.0

Magnesium binding site 2 out of 2 in the Apo Structure of the E52D Mutant of Ant-4


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Apo Structure of the E52D Mutant of Ant-4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg303 b:49.2 occ:1.00 O A:HOH441 2.2 47.4 1.0 OD2 B:ASP50 2.6 47.8 1.0 O B:HOH410 2.6 37.4 1.0 OD2 B:ASP52 2.7 47.1 1.0 O B:HOH571 3.1 46.5 1.0 OE2 A:GLU145 3.2 36.4 1.0 OD1 B:ASP52 3.3 41.2 1.0 CG B:ASP52 3.4 39.1 1.0 CG B:ASP50 3.5 47.4 1.0 CD A:GLU145 3.6 40.9 1.0 OD1 B:ASP50 3.7 55.7 1.0 OE1 A:GLU145 4.1 38.4 1.0 O B:HOH423 4.1 23.6 1.0 CG A:GLU145 4.3 36.6 1.0 O A:HOH518 4.6 46.1 1.0 NZ B:LYS74 4.6 36.8 1.0 OE1 B:GLU76 4.8 39.2 1.0 CB B:ASP52 4.9 24.4 1.0 CB B:ASP50 4.9 36.8 1.0

B.Selvaraj, M.J.Cuneo. Catch and Release: A Novel Variation of the Archetypal Nucleotidyl Transfer Reaction To Be Published.