Chlorine in PDB 7oqu: Ternary Complex of 14-3-3 Sigma, Amot-P130 Phosphopeptide, and WQ180

The structure of Ternary Complex of 14-3-3 Sigma, Amot-P130 Phosphopeptide, and WQ180, PDB code: 7oqu was solved by F.Centorrino, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.45 / 1.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.611, 111.835, 62.277, 90, 90, 90
R / Rfree (%)	17.1 / 18.2

The structure of Ternary Complex of 14-3-3 Sigma, Amot-P130 Phosphopeptide, and WQ180 also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Ternary Complex of 14-3-3 Sigma, Amot-P130 Phosphopeptide, and WQ180 (pdb code 7oqu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Ternary Complex of 14-3-3 Sigma, Amot-P130 Phosphopeptide, and WQ180, PDB code: 7oqu:

Chlorine binding site 1 out of 1 in the Ternary Complex of 14-3-3 Sigma, Amot-P130 Phosphopeptide, and WQ180


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ternary Complex of 14-3-3 Sigma, Amot-P130 Phosphopeptide, and WQ180 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:24.3 occ:0.76 HZ3 A:LYS9 2.2 26.1 1.0 HD3 A:LYS9 3.0 19.4 1.0 NZ A:LYS9 3.1 21.7 1.0 HZ2 A:LYS9 3.5 26.1 1.0 HZ1 A:LYS9 3.5 26.1 1.0 HE2 A:LYS9 3.6 22.3 1.0 CE A:LYS9 3.7 18.5 1.0 CD A:LYS9 3.7 16.2 1.0 HZ A:PHE25 3.7 17.2 1.0 HE1 A:MET1 3.9 25.7 1.0 HD2 A:LYS9 4.0 19.4 1.0 HE1 A:PHE25 4.1 19.3 1.0 CZ A:PHE25 4.4 14.3 1.0 CE1 A:PHE25 4.6 16.0 1.0 HE3 A:LYS9 4.6 22.3 1.0 CE A:MET1 4.7 21.4 1.0 HE2 A:MET1 4.7 25.7 1.0 HG2 A:LYS9 4.9 18.4 1.0 CG A:LYS9 4.9 15.3 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.