Sodium 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:

Magnesium	(Mg)	2 atoms
Calcium	(Ca)	1 atom

The binding sites of Sodium 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 Sodium atom.
In total 2 binding sites of Sodium where determined in the 14-3-3 Sigma in Complex with SMAD4 PS403 Peptide, PDB code: 6yic:
Jump to Sodium binding site number: 1; 2;

Sodium 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 Sodium with other atoms in the Na 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:Na302 b:22.5 occ:1.00 O A:GLU110 2.3 30.3 1.0 OE2 A:GLU35 2.3 32.8 1.0 O A:HOH455 2.3 40.0 1.0 O A:HOH609 2.4 32.1 1.0 OE1 A:GLU35 2.7 42.4 1.0 CD A:GLU35 2.9 36.2 1.0 C A:GLU110 3.5 29.7 1.0 N A:GLY112 4.0 28.4 1.0 CA A:GLU110 4.3 25.4 1.0 CG A:GLU35 4.4 25.6 1.0 OE1 A:GLU110 4.4 42.0 1.0 N A:ALA111 4.5 24.2 1.0 CB A:GLU110 4.5 27.4 1.0 CA A:ALA111 4.6 24.9 1.0 O A:HOH467 4.6 41.9 1.0 CA A:GLY112 4.7 32.7 1.0 C A:ALA111 4.7 25.4 1.0 O A:HOH587 5.0 54.0 1.0

Sodium 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 Sodium with other atoms in the Na binding site number 2 of 14-3-3 Sigma in Complex with SMAD4 PS403 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Na306 b:39.6 occ:1.00 O A:HOH559 2.7 30.8 1.0 OD1 A:ASP104 2.9 43.1 1.0 NZ A:LYS124 3.0 34.9 1.0 CA A:ASP104 3.5 21.7 1.0 CB A:ASP104 3.5 26.0 1.0 CG A:ASP104 3.6 37.1 1.0 CE A:LYS124 3.6 30.9 1.0 CD1 A:ILE108 3.7 24.3 1.0 CD A:LYS124 3.8 23.9 1.0 N A:ASP104 3.8 21.4 1.0 O A:HOH644 4.1 46.4 1.0 C A:LEU103 4.1 19.7 1.0 O A:HOH458 4.2 35.0 1.0 O A:HOH502 4.2 54.3 1.0 O A:LEU103 4.2 22.9 1.0 O A:HOH557 4.3 50.5 1.0 CB A:LEU103 4.7 18.2 1.0 CG1 A:ILE108 4.7 21.0 1.0 O A:LEU100 4.8 22.4 1.0 CB A:ILE108 4.8 21.5 1.0 OD2 A:ASP104 4.8 43.2 1.0 C A:ASP104 4.8 24.6 1.0 O A:HOH536 4.9 27.6 1.0 CG A:LYS124 4.9 18.6 1.0

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