Magnesium in PDB 6yib: 14-3-3 Sigma in Complex with SMAD3 PS423 Peptide

The structure of 14-3-3 Sigma in Complex with SMAD3 PS423 Peptide, PDB code: 6yib 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)	19.74 / 1.70
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.78, 111.69, 62.05, 90, 90, 90
R / Rfree (%)	16.7 / 20.3

The structure of 14-3-3 Sigma in Complex with SMAD3 PS423 Peptide also contains other interesting chemical elements:

Calcium	(Ca)	1 atom
Chlorine	(Cl)	3 atoms
Sodium	(Na)	1 atom

The binding sites of Magnesium atom in the 14-3-3 Sigma in Complex with SMAD3 PS423 Peptide (pdb code 6yib). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the 14-3-3 Sigma in Complex with SMAD3 PS423 Peptide, PDB code: 6yib:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the 14-3-3 Sigma in Complex with SMAD3 PS423 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 SMAD3 PS423 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:19.5 occ:1.00 O A:HOH507 2.2 44.1 1.0 OE2 A:GLU188 2.3 34.3 1.0 CD A:GLU188 3.3 34.7 1.0 CG A:GLU188 3.8 27.1 1.0 OE1 A:GLU188 4.4 34.5 1.0 O A:HOH689 4.6 43.7 1.0

Magnesium binding site 2 out of 3 in the 14-3-3 Sigma in Complex with SMAD3 PS423 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 SMAD3 PS423 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:19.4 occ:0.54 O A:HOH494 2.6 27.9 1.0 OE1 A:GLU2 2.6 32.7 1.0 O A:HOH635 2.7 53.9 1.0 O A:HOH623 3.2 46.0 1.0 CD A:GLU2 3.7 32.8 1.0 OE2 A:GLU2 4.1 32.1 1.0 O A:HOH434 4.3 30.6 1.0 O A:HOH575 4.6 24.9 1.0 CG A:GLU2 4.9 23.7 1.0 CA A:GLU2 4.9 19.7 1.0 N A:ARG3 5.0 20.1 1.0

Magnesium binding site 3 out of 3 in the 14-3-3 Sigma in Complex with SMAD3 PS423 Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of 14-3-3 Sigma in Complex with SMAD3 PS423 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:49.5 occ:1.00 O A:HOH605 2.2 48.6 1.0 O A:HOH545 2.6 36.9 1.0 NZ A:LYS124 3.4 33.2 1.0 CE A:LYS124 3.7 28.5 1.0 CA A:ALA150 3.8 18.6 1.0 N A:ALA150 3.9 17.9 1.0 OE1 A:GLU153 4.0 55.9 1.0 CB A:ALA150 4.0 20.2 1.0 CD A:LYS124 4.1 19.6 1.0 OG A:SER149 4.1 33.1 0.5 C A:SER149 4.2 21.4 0.5 O A:HOH619 4.2 51.8 1.0 O A:SER149 4.2 21.7 0.5 C A:SER149 4.4 21.4 0.5 O A:HOH614 4.4 48.9 1.0 CD2 A:LEU121 4.5 21.0 1.0 O A:SER149 4.5 22.6 0.5 CB A:SER149 4.5 26.4 0.5 CB A:SER149 4.7 26.3 0.5 O A:SER146 4.9 20.0 1.0 CD A:GLU153 5.0 45.6 1.0

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