Magnesium in PDB 7oqw: Ternary Complex of 14-3-3 Sigma, Amot-P130 Phosphopeptide, and WQ178

The structure of Ternary Complex of 14-3-3 Sigma, Amot-P130 Phosphopeptide, and WQ178, PDB code: 7oqw 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)	41.41 / 1.90
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.678, 111.644, 61.737, 90, 90, 90
R / Rfree (%)	17.8 / 22.1

The binding sites of Magnesium atom in the Ternary Complex of 14-3-3 Sigma, Amot-P130 Phosphopeptide, and WQ178 (pdb code 7oqw). 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 WQ178, PDB code: 7oqw:
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 WQ178


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 WQ178 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:11.2 occ:0.50 OE1 A:GLU2 2.3 20.1 1.0 O A:HOH537 2.3 35.8 1.0 O A:HOH437 2.6 15.5 1.0 CD A:GLU2 3.3 21.2 1.0 OE2 A:GLU2 3.8 18.3 1.0 HA A:GLU2 4.0 6.2 1.0 H A:ARG3 4.1 13.1 1.0 O A:HOH532 4.3 11.5 1.0 O A:HOH614 4.4 18.2 1.0 HB3 A:GLU2 4.5 18.9 1.0 CG A:GLU2 4.5 13.8 1.0 HG2 A:GLU2 4.7 16.7 1.0 CA A:GLU2 4.8 5.1 1.0 CB A:GLU2 4.9 15.7 1.0 N A:ARG3 5.0 10.9 1.0

Magnesium binding site 2 out of 2 in the Ternary Complex of 14-3-3 Sigma, Amot-P130 Phosphopeptide, and WQ178


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 WQ178 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:23.0 occ:1.00 OE2 A:GLU35 2.0 16.6 1.0 O A:GLU110 2.4 20.1 1.0 O A:HOH490 2.6 29.3 1.0 H A:GLY112 2.9 29.4 1.0 CD A:GLU35 3.2 48.4 1.0 N A:GLY112 3.5 24.4 1.0 C A:GLU110 3.5 26.0 1.0 HA3 A:GLY112 3.6 44.9 1.0 O A:HOH528 3.8 44.2 1.0 OE1 A:GLU110 3.9 43.0 1.0 HG2 A:GLU35 3.9 26.8 1.0 OE1 A:GLU35 3.9 40.9 1.0 HB3 A:GLU110 4.0 30.8 1.0 HA A:GLU110 4.0 24.4 1.0 CA A:GLY112 4.1 37.4 1.0 CG A:GLU35 4.2 22.3 1.0 CA A:GLU110 4.3 20.4 1.0 HA A:ALA111 4.3 24.5 1.0 HA2 A:GLY112 4.4 44.9 1.0 C A:ALA111 4.4 22.8 1.0 N A:ALA111 4.5 10.1 1.0 HG3 A:GLU35 4.6 26.8 1.0 CB A:GLU110 4.6 25.6 1.0 CA A:ALA111 4.6 20.4 1.0 CD A:GLU110 5.0 54.6 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.