Magnesium in PDB 6yic: 14-3-3 Sigma in Complex with SMAD4 PS403 Peptide

The structure of 14-3-3 Sigma in Complex with SMAD4 PS403 Peptide, PDB code: 6yic was solved by S.Kiehstaller, S.Graf, S.Hennig, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.36 / 1.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.99, 111.83, 62.35, 90, 90, 90
R / Rfree (%)	16.8 / 20.5

The structure of 14-3-3 Sigma in Complex with SMAD4 PS403 Peptide also contains other interesting chemical elements:

Sodium	(Na)	2 atoms
Calcium	(Ca)	1 atom

The binding sites of Magnesium atom in the 14-3-3 Sigma in Complex with SMAD4 PS403 Peptide (pdb code 6yic). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the 14-3-3 Sigma in Complex with SMAD4 PS403 Peptide, PDB code: 6yic:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the 14-3-3 Sigma in Complex with SMAD4 PS403 Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 14-3-3 Sigma in Complex with SMAD4 PS403 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:19.3 occ:0.52 O A:HOH433 2.6 30.0 1.0 OE1 A:GLU2 2.6 29.8 1.0 O A:HOH618 2.7 53.9 1.0 O A:HOH696 3.0 57.8 1.0 O A:HOH640 3.0 46.7 1.0 CD A:GLU2 3.6 31.6 1.0 OE2 A:GLU2 4.0 28.1 1.0 O A:HOH450 4.3 30.4 1.0 O A:HOH417 4.5 54.8 1.0 O A:HOH585 4.6 26.3 1.0 CG A:GLU2 4.9 23.7 1.0 CA A:GLU2 5.0 24.3 1.0

Magnesium binding site 2 out of 2 in the 14-3-3 Sigma in Complex with SMAD4 PS403 Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 14-3-3 Sigma in Complex with SMAD4 PS403 Peptide within 5.0Å range:

S.Graf, S.Kiehstaller, C.Ottmann, S.Hennig. Identification and Characterization of 14-3-3/Smad Protein-Protein-Interactions To Be Published.