Magnesium in PDB 7oqs: Ternary Complex of 14-3-3 Sigma, Amot-P130 Phosphopeptide, and WQ177

The structure of Ternary Complex of 14-3-3 Sigma, Amot-P130 Phosphopeptide, and WQ177, PDB code: 7oqs 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)	55.79 / 1.34
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.425, 111.59, 62.467, 90, 90, 90
R / Rfree (%)	17.8 / 19.5

The binding sites of Magnesium atom in the Ternary Complex of 14-3-3 Sigma, Amot-P130 Phosphopeptide, and WQ177 (pdb code 7oqs). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Ternary Complex of 14-3-3 Sigma, Amot-P130 Phosphopeptide, and WQ177, PDB code: 7oqs:

Magnesium binding site 1 out of 1 in the Ternary Complex of 14-3-3 Sigma, Amot-P130 Phosphopeptide, and WQ177


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 WQ177 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:14.9 occ:0.50 OE1 A:GLU2 2.4 19.9 1.0 O A:HOH420 2.5 19.1 1.0 O A:HOH587 2.7 39.4 1.0 CD A:GLU2 3.4 21.4 1.0 OE2 A:GLU2 3.7 18.4 1.0 HA A:GLU2 4.0 12.4 1.0 H A:ARG3 4.1 12.1 1.0 O A:HOH536 4.3 16.3 1.0 O A:HOH633 4.5 18.6 1.0 CG A:GLU2 4.7 14.5 1.0 HB3 A:GLU2 4.7 15.3 1.0 CA A:GLU2 4.9 10.3 1.0 HG2 A:GLU2 4.9 17.4 1.0 N A:ARG3 5.0 10.1 1.0 CB A:GLU2 5.0 12.7 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.