Chlorine 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
Magnesium	(Mg)	3 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine 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 Chlorine atom.
In total 3 binding sites of Chlorine where determined in the 14-3-3 Sigma in Complex with SMAD3 PS423 Peptide, PDB code: 6yib:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl304 b:27.4 occ:1.00 NZ A:LYS9 3.1 24.2 1.0 CD A:LYS9 3.7 19.2 1.0 CE A:LYS9 3.8 23.1 1.0 CZ A:PHE25 4.2 25.9 1.0 CE1 A:PHE25 4.5 24.7 1.0 CE A:MET1 4.5 25.6 1.0 CG A:LYS9 4.9 19.6 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl305 b:84.1 occ:1.00 O A:HOH676 2.8 57.6 1.0 OD1 A:ASP97 3.4 35.4 1.0 O A:HOH638 4.2 54.3 1.0 CG A:ASP97 4.2 37.4 1.0 OH A:TYR128 4.2 27.6 1.0 CD1 A:LEU100 4.3 19.4 1.0 CB A:LEU100 4.8 16.6 1.0 CE1 A:TYR128 4.8 20.8 1.0 CZ A:TYR128 4.8 22.4 1.0 CB A:ASP97 4.8 20.1 1.0 CA A:ASP97 4.8 21.3 1.0 OD2 A:ASP97 4.9 38.4 1.0 O A:HOH667 4.9 53.6 0.7 CD1 A:LEU131 5.0 19.4 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl306 b:91.1 occ:1.00 O A:HOH681 3.4 59.4 1.0 O A:HOH675 3.4 50.6 1.0 O A:HOH624 4.1 43.5 1.0 O A:HOH661 4.3 36.8 1.0 O A:HOH500 4.9 34.1 1.0

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