Magnesium in PDB 7or7: Ternary Complex of 14-3-3 Sigma, NOTCHPS1917 Phosphopeptide, and WQ178

The structure of Ternary Complex of 14-3-3 Sigma, NOTCHPS1917 Phosphopeptide, and WQ178, PDB code: 7or7 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)	41.57 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.437, 111.431, 62.424, 90, 90, 90
R / Rfree (%)	16.1 / 19.7

The structure of Ternary Complex of 14-3-3 Sigma, NOTCHPS1917 Phosphopeptide, and WQ178 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, NOTCHPS1917 Phosphopeptide, and WQ178 (pdb code 7or7). 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, NOTCHPS1917 Phosphopeptide, and WQ178, PDB code: 7or7:

Magnesium binding site 1 out of 1 in the Ternary Complex of 14-3-3 Sigma, NOTCHPS1917 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, NOTCHPS1917 Phosphopeptide, and WQ178 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:8.4 occ:0.50 O A:HOH598 2.3 38.8 1.0 OE2 A:GLU2 2.5 13.5 1.0 O A:HOH450 2.6 11.8 1.0 CD A:GLU2 3.4 13.8 1.0 OE1 A:GLU2 3.8 11.2 1.0 HA A:GLU2 4.0 11.2 1.0 H A:ARG3 4.2 7.9 1.0 O A:HOH562 4.4 11.6 1.0 O A:HOH717 4.5 14.5 1.0 CG A:GLU2 4.7 8.3 1.0 HB3 A:GLU2 4.8 12.3 1.0 CA A:GLU2 4.9 9.4 1.0 O A:HOH478 5.0 21.7 1.0 HG2 A:GLU2 5.0 10.0 1.0 N A:ARG3 5.0 6.6 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.