Magnesium in PDB 7oqu: Ternary Complex of 14-3-3 Sigma, Amot-P130 Phosphopeptide, and WQ180

The structure of Ternary Complex of 14-3-3 Sigma, Amot-P130 Phosphopeptide, and WQ180, PDB code: 7oqu was solved by F.Centorrino, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.45 / 1.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.611, 111.835, 62.277, 90, 90, 90
R / Rfree (%)	17.1 / 18.2

The structure of Ternary Complex of 14-3-3 Sigma, Amot-P130 Phosphopeptide, and WQ180 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Ternary Complex of 14-3-3 Sigma, Amot-P130 Phosphopeptide, and WQ180 (pdb code 7oqu). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Ternary Complex of 14-3-3 Sigma, Amot-P130 Phosphopeptide, and WQ180, PDB code: 7oqu:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Ternary Complex of 14-3-3 Sigma, Amot-P130 Phosphopeptide, and WQ180


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ternary Complex of 14-3-3 Sigma, Amot-P130 Phosphopeptide, and WQ180 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:17.2 occ:0.50 O A:HOH567 2.4 44.5 1.0 OE1 A:GLU2 2.4 23.0 1.0 O A:HOH420 2.5 20.8 1.0 O A:HOH589 2.7 41.2 1.0 CD A:GLU2 3.4 24.2 1.0 OE2 A:GLU2 3.8 20.9 1.0 HA A:GLU2 4.1 16.4 1.0 H A:ARG3 4.2 16.1 1.0 O A:HOH523 4.4 18.6 1.0 O A:HOH620 4.4 20.5 1.0 CG A:GLU2 4.7 18.0 1.0 HB3 A:GLU2 4.7 19.6 1.0 CA A:GLU2 4.9 13.7 1.0 HG2 A:GLU2 4.9 21.6 1.0 N A:ARG3 5.0 13.4 1.0

Magnesium binding site 2 out of 2 in the Ternary Complex of 14-3-3 Sigma, Amot-P130 Phosphopeptide, and WQ180


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Ternary Complex of 14-3-3 Sigma, Amot-P130 Phosphopeptide, and WQ180 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:22.6 occ:1.00 OE2 A:GLU35 1.9 17.2 1.0 O A:HOH530 2.0 37.2 1.0 O A:GLU110 2.2 23.8 1.0 O A:HOH437 2.4 26.4 1.0 CD A:GLU35 2.9 36.0 1.0 H A:GLY112 3.1 39.0 1.0 OE1 A:GLU35 3.1 45.2 1.0 C A:GLU110 3.4 20.9 1.0 N A:GLY112 3.7 32.5 1.0 HA A:ALA111 3.9 22.0 1.0 HB3 A:GLU110 3.9 21.9 1.0 HA3 A:GLY112 4.0 41.1 1.0 HA A:GLU110 4.1 20.1 1.0 CG A:GLU35 4.3 23.5 1.0 CA A:GLU110 4.3 16.7 1.0 N A:ALA111 4.3 17.4 1.0 CA A:ALA111 4.4 18.3 1.0 OE1 A:GLU110 4.4 40.1 1.0 CA A:GLY112 4.4 34.2 1.0 HG2 A:GLU35 4.5 28.3 1.0 C A:ALA111 4.5 19.9 1.0 O A:HOH557 4.5 38.3 1.0 HG3 A:GLU35 4.6 28.3 1.0 CB A:GLU110 4.6 18.2 1.0 HA2 A:GLY112 5.0 41.1 1.0

F.Centorrino, Q.Wu, P.Cossar, L.Brunsveld, C.Ottmann. A Crystallography-Based Study of Fragment Extensions Into the 14-3-3 Binding Groove To Be Published.