Chlorine in PDB 8adm: Ternary Complex of 14-3-3 Sigma, USP8PS718 Phosphopeptide and Small Molecule Stabilizer

All present enzymatic activity of Ternary Complex of 14-3-3 Sigma, USP8PS718 Phosphopeptide and Small Molecule Stabilizer:
3.4.19.12;

The structure of Ternary Complex of 14-3-3 Sigma, USP8PS718 Phosphopeptide and Small Molecule Stabilizer, PDB code: 8adm 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)	39.84 / 1.70
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.095, 96.034, 79.677, 90, 90, 90
R / Rfree (%)	18.5 / 22.2

The binding sites of Chlorine atom in the Ternary Complex of 14-3-3 Sigma, USP8PS718 Phosphopeptide and Small Molecule Stabilizer (pdb code 8adm). 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, USP8PS718 Phosphopeptide and Small Molecule Stabilizer, PDB code: 8adm:

Chlorine binding site 1 out of 1 in the Ternary Complex of 14-3-3 Sigma, USP8PS718 Phosphopeptide and Small Molecule Stabilizer


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, USP8PS718 Phosphopeptide and Small Molecule Stabilizer within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:41.4 occ:1.00 CL1 A:O6C301 0.0 41.4 1.0 C7 A:O6C301 1.8 54.2 1.0 C6 A:O6C301 2.7 66.9 1.0 C8 A:O6C301 2.8 37.7 1.0 H8 A:O6C301 2.8 80.3 1.0 H9 A:O6C301 2.9 45.3 1.0 HZ2 A:LYS122 3.1 27.8 1.0 HD3 A:LYS122 3.1 24.4 1.0 O A:HOH552 3.2 26.3 1.0 HE3 A:LYS122 3.2 25.5 1.0 HE2 A:PHE119 3.2 37.2 1.0 HD2 A:PHE119 3.5 34.0 1.0 CE2 A:PHE119 3.6 31.0 1.0 HG12 A:ILE168 3.6 35.0 1.0 HG23 A:ILE168 3.7 36.6 1.0 NZ A:LYS122 3.7 23.1 1.0 CE A:LYS122 3.7 21.2 1.0 CD2 A:PHE119 3.7 28.4 1.0 CD A:LYS122 3.8 20.3 1.0 O A:HOH470 3.8 36.7 1.0 HZ1 A:LYS122 3.9 27.8 1.0 HA A:ILE168 3.9 24.9 1.0 C5 A:O6C301 4.0 71.4 1.0 O A:HOH456 4.0 34.1 1.0 C9 A:O6C301 4.1 43.5 1.0 HD2 A:LYS122 4.1 24.4 1.0 HG P:SER128 4.2 41.0 1.0 HZ3 A:LYS122 4.5 27.8 1.0 CG2 A:ILE168 4.5 30.4 1.0 CG1 A:ILE168 4.5 29.1 1.0 C4 A:O6C301 4.6 66.4 1.0 CZ A:PHE119 4.6 27.0 1.0 HA A:PHE119 4.6 27.3 1.0 HG21 A:ILE168 4.6 36.6 1.0 HE2 A:LYS122 4.6 25.5 1.0 H7 A:O6C301 4.7 85.7 1.0 H10 A:O6C301 4.8 52.2 1.0 CA A:ILE168 4.8 20.7 1.0 CG A:PHE119 4.8 27.2 1.0 HZ A:PHE119 4.9 32.5 1.0 CB A:ILE168 4.9 24.0 1.0 OG P:SER128 4.9 34.1 1.0

D.N.Kenanova, E.J.Visser, J.M.Virta, E.Sijbesma, F.Centorrino, H.R.Vickery, M.Zhong, R.J.Neitz, L.Brunsveld, C.Ottmann, M.R.Arkin. A Systematic Approach to the Discovery of Protein–Protein Interaction Stabilizers Acs Cent.Sci. 2023.
ISSN: ESSN 2374-7951
DOI: 10.1021/ACSCENTSCI.2C01449