Chlorine in PDB 7ort: Ternary Complex of 14-3-3 Sigma, P27PT198 Phosphopeptide, and WQ176

The structure of Ternary Complex of 14-3-3 Sigma, P27PT198 Phosphopeptide, and WQ176, PDB code: 7ort was solved by F.Centorrino, Q.Wu, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.75 / 2.33
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.579, 112.025, 62.632, 90, 90, 90
R / Rfree (%)	17.7 / 22.8

The structure of Ternary Complex of 14-3-3 Sigma, P27PT198 Phosphopeptide, and WQ176 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, P27PT198 Phosphopeptide, and WQ176 (pdb code 7ort). 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, P27PT198 Phosphopeptide, and WQ176, PDB code: 7ort:

Chlorine binding site 1 out of 1 in the Ternary Complex of 14-3-3 Sigma, P27PT198 Phosphopeptide, and WQ176


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, P27PT198 Phosphopeptide, and WQ176 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:14.2 occ:1.00 O A:HOH569 2.8 17.4 1.0 HA A:TYR84 3.1 14.6 1.0 O A:HOH551 3.1 18.0 1.0 HD2 A:LYS87 3.1 20.9 1.0 HD1 A:TYR84 3.4 11.7 1.0 HB2 A:LYS87 3.4 17.1 1.0 HB3 A:GLU83 3.6 14.5 1.0 HD3 A:LYS87 3.7 20.9 1.0 HB2 A:TYR84 3.8 11.4 1.0 CA A:TYR84 3.8 12.2 1.0 CD A:LYS87 3.8 17.4 1.0 O A:GLU83 3.9 9.2 1.0 HB3 A:LYS87 4.0 17.1 1.0 C A:GLU83 4.0 11.9 1.0 N A:TYR84 4.0 11.6 1.0 CB A:LYS87 4.1 14.2 1.0 CD1 A:TYR84 4.2 9.8 1.0 O A:HOH423 4.2 15.4 1.0 CB A:TYR84 4.3 9.5 1.0 HB2 A:GLU83 4.3 14.5 1.0 CB A:GLU83 4.3 12.1 1.0 H A:TYR84 4.5 13.9 1.0 CG A:LYS87 4.5 15.7 1.0 HZ3 A:LYS87 4.6 27.7 1.0 O A:HOH530 4.7 26.6 1.0 HG3 A:LYS87 4.7 18.9 1.0 CG A:TYR84 4.7 9.3 1.0 CA A:GLU83 4.8 13.4 1.0 HZ2 A:LYS87 4.9 27.7 1.0 H A:LYS87 4.9 11.6 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.