Chlorine in PDB 9ew6: Binary Structure of 14-3-3S and Braf Phosphopeptide (PS365)

All present enzymatic activity of Binary Structure of 14-3-3S and Braf Phosphopeptide (PS365):
2.7.11.1;

The structure of Binary Structure of 14-3-3S and Braf Phosphopeptide (PS365), PDB code: 9ew6 was solved by M.Konstantinidou, H.Vickery, M.A.M.Pennings, J.Virta, E.J.Visser, M.C.M.Oetelaar, M.Overmans, J.Neitz, C.Ottmann, L.Brunsveld, M.R.Arkin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.27 / 1.65
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.783, 96.043, 80.44, 90, 90, 90
R / Rfree (%)	18.5 / 22.1

The structure of Binary Structure of 14-3-3S and Braf Phosphopeptide (PS365) also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Binary Structure of 14-3-3S and Braf Phosphopeptide (PS365) (pdb code 9ew6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Binary Structure of 14-3-3S and Braf Phosphopeptide (PS365), PDB code: 9ew6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Binary Structure of 14-3-3S and Braf Phosphopeptide (PS365)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Binary Structure of 14-3-3S and Braf Phosphopeptide (PS365) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:64.3 occ:1.00 O A:HOH576 2.7 50.2 1.0 CA A:TYR84 3.7 36.1 1.0 N A:TYR84 3.8 36.9 1.0 C A:GLU83 3.9 35.4 1.0 O A:GLU83 3.9 33.2 1.0 CD1 A:TYR84 4.0 34.5 1.0 CB A:TYR84 4.0 36.0 1.0 CB A:GLU83 4.1 39.2 1.0 CD A:LYS87 4.2 39.4 1.0 CG A:TYR84 4.4 33.5 1.0 CB A:LYS87 4.4 31.0 1.0 O A:HOH451 4.6 39.9 1.0 CA A:GLU83 4.7 37.5 1.0 OE1 A:GLU83 4.8 49.8 1.0 CG A:LYS87 5.0 33.9 1.0 C A:TYR84 5.0 35.9 1.0 CE1 A:TYR84 5.0 34.6 1.0

Chlorine binding site 2 out of 2 in the Binary Structure of 14-3-3S and Braf Phosphopeptide (PS365)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Binary Structure of 14-3-3S and Braf Phosphopeptide (PS365) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:97.1 occ:1.00 O A:HOH467 2.7 58.8 1.0 OE2 A:GLU2 2.8 56.9 1.0 O A:HOH546 2.8 80.4 1.0 O A:HOH542 3.0 82.7 1.0 CD A:GLU2 3.3 51.8 1.0 O A:HOH403 3.4 46.9 1.0 CG A:GLU2 3.7 46.7 1.0 CB A:GLU2 3.8 47.9 1.0 CA A:GLU2 4.1 46.6 1.0 OE1 A:GLU2 4.1 59.7 1.0 N A:ARG3 4.4 39.4 1.0 C A:GLU2 4.8 42.7 1.0

M.Konstantinidou, H.Vickery, M.A.M.Pennings, J.Virta, E.J.Visser, M.C.M.Oetelaar, M.Overmans, J.Neitz, C.Ottmann, L.Brunsveld, M.R.Arkin. Small Molecule Stabilization of the 14-3-3SIGMA/Craf Complex Inhibits the Mapk Pathway To Be Published.