Magnesium in PDB 7opw: Ternary Complex of 14-3-3 Sigma, Estrogen Receptor Alfa Phosphopeptide, and WQ136

The structure of Ternary Complex of 14-3-3 Sigma, Estrogen Receptor Alfa Phosphopeptide, and WQ136, PDB code: 7opw 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)	41.02 / 1.81
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.981, 110.495, 61.228, 90, 90, 90
R / Rfree (%)	18.6 / 22.9

The structure of Ternary Complex of 14-3-3 Sigma, Estrogen Receptor Alfa Phosphopeptide, and WQ136 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, Estrogen Receptor Alfa Phosphopeptide, and WQ136 (pdb code 7opw). 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, Estrogen Receptor Alfa Phosphopeptide, and WQ136, PDB code: 7opw:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Ternary Complex of 14-3-3 Sigma, Estrogen Receptor Alfa Phosphopeptide, and WQ136


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, Estrogen Receptor Alfa Phosphopeptide, and WQ136 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:16.5 occ:0.50 OE1 A:GLU2 2.4 21.9 1.0 O A:HOH511 2.5 21.8 1.0 CD A:GLU2 3.4 27.0 1.0 OE2 A:GLU2 3.7 27.2 1.0 HA A:GLU2 4.0 23.7 1.0 H A:ARG3 4.1 22.6 1.0 O A:HOH556 4.4 18.0 1.0 O A:HOH428 4.5 23.7 1.0 CG A:GLU2 4.7 24.9 1.0 HB3 A:GLU2 4.8 27.2 1.0 CA A:GLU2 4.9 19.8 1.0 N A:ARG3 4.9 18.9 1.0 HG2 A:GLU2 5.0 29.8 1.0

Magnesium binding site 2 out of 2 in the Ternary Complex of 14-3-3 Sigma, Estrogen Receptor Alfa Phosphopeptide, and WQ136


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, Estrogen Receptor Alfa Phosphopeptide, and WQ136 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg306 b:29.2 occ:1.00 OE2 A:GLU35 2.2 12.9 1.0 O A:GLU110 2.6 23.1 1.0 O A:HOH591 2.6 35.8 1.0 O A:HOH408 3.0 28.7 1.0 HA3 A:GLY112 3.3 40.0 1.0 H A:GLY112 3.3 28.5 1.0 CD A:GLU35 3.4 40.6 1.0 C A:GLU110 3.5 24.5 1.0 N A:GLY112 3.7 23.8 1.0 HA A:GLU110 3.7 25.5 1.0 O A:HOH631 3.8 40.8 1.0 CA A:GLY112 3.9 33.4 1.0 HB3 A:GLU110 4.0 26.2 1.0 OE1 A:GLU35 4.1 33.5 1.0 CA A:GLU110 4.2 21.3 1.0 HA2 A:GLY112 4.2 40.0 1.0 HG2 A:GLU35 4.4 31.4 1.0 C A:ALA111 4.5 24.4 1.0 N A:ALA111 4.5 21.1 1.0 CG A:GLU35 4.5 26.3 1.0 HA A:ALA111 4.6 28.4 1.0 CB A:GLU110 4.6 21.9 1.0 CA A:ALA111 4.8 23.7 1.0 HG3 A:GLU35 4.9 31.4 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.