Magnesium in PDB 7ort: Ternary Complex of 14-3-3 Sigma, P27PT198 Phosphopeptide, and WQ176

The structure of Ternary Complex of 14-3-3 Sigma, P27PT198 Phosphopeptide, and WQ176, PDB code: 7ort was solved by F.Centorrino, Q.Wu, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.75 / 2.33
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.579, 112.025, 62.632, 90, 90, 90
R / Rfree (%)	17.7 / 22.8

The structure of Ternary Complex of 14-3-3 Sigma, P27PT198 Phosphopeptide, and WQ176 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, P27PT198 Phosphopeptide, and WQ176 (pdb code 7ort). 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, P27PT198 Phosphopeptide, and WQ176, PDB code: 7ort:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Ternary Complex of 14-3-3 Sigma, P27PT198 Phosphopeptide, and WQ176


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, P27PT198 Phosphopeptide, and WQ176 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:24.7 occ:1.00 OE1 A:GLU2 2.1 15.6 1.0 O A:HOH542 2.3 23.5 1.0 O A:HOH415 2.8 10.4 1.0 CD A:GLU2 3.2 13.1 1.0 OE2 A:GLU2 3.6 14.6 1.0 O A:HOH519 3.6 16.7 1.0 H A:ARG3 3.9 16.2 1.0 HA A:GLU2 3.9 16.1 1.0 HB3 A:GLU2 4.2 12.1 1.0 CG A:GLU2 4.4 12.7 1.0 O A:HOH520 4.5 18.0 1.0 CB A:GLU2 4.6 10.0 1.0 CA A:GLU2 4.7 13.4 1.0 N A:ARG3 4.7 13.5 1.0 O A:HOH585 4.7 11.6 1.0 HG2 A:GLU2 4.9 15.3 1.0

Magnesium binding site 2 out of 2 in the Ternary Complex of 14-3-3 Sigma, P27PT198 Phosphopeptide, and WQ176


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, P27PT198 Phosphopeptide, and WQ176 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:21.1 occ:1.00 OE2 A:GLU188 2.5 26.3 1.0 HG2 A:GLU188 3.5 26.5 1.0 CD A:GLU188 3.5 25.3 1.0 CG A:GLU188 4.0 22.1 1.0 HG3 A:GLU188 4.4 26.5 1.0 OE1 A:GLU188 4.6 23.4 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.