Chlorine in PDB 6y40: 14-3-3 Sigma in Complex with Phosphorylated Pln Peptide

The structure of 14-3-3 Sigma in Complex with Phosphorylated Pln Peptide, PDB code: 6y40 was solved by A.Ballone, R.A.Lau, F.P.A.Zweipfenning, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.81 / 1.75
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.300, 112.390, 62.569, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 20.7

The structure of 14-3-3 Sigma in Complex with Phosphorylated Pln Peptide also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Chlorine atom in the 14-3-3 Sigma in Complex with Phosphorylated Pln Peptide (pdb code 6y40). 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 14-3-3 Sigma in Complex with Phosphorylated Pln Peptide, PDB code: 6y40:

Chlorine binding site 1 out of 1 in the 14-3-3 Sigma in Complex with Phosphorylated Pln 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 Phosphorylated Pln Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:7.2 occ:0.00 O A:HOH793 3.0 15.3 1.0 O A:HOH695 3.0 13.1 1.0 CA A:TYR84 3.9 7.9 1.0 O A:GLU83 4.0 5.6 1.0 N A:TYR84 4.1 2.3 1.0 C A:GLU83 4.1 3.5 1.0 CD A:LYS87 4.1 11.2 1.0 CD1 A:TYR84 4.1 4.5 1.0 CB A:LYS87 4.1 5.5 1.0 CB A:TYR84 4.3 3.6 1.0 CB A:GLU83 4.3 2.8 1.0 O A:HOH479 4.5 11.1 1.0 CG A:LYS87 4.6 9.3 1.0 CG A:TYR84 4.7 2.9 1.0 O A:HOH828 4.9 32.6 1.0 CA A:GLU83 4.9 4.2 1.0

A.Ballone, R.A.Lau, F.P.A.Zweipfenning, C.Ottmann. A New Soaking Procedure For X-Ray Crystallographic Structural Determination of Protein-Peptide Complexes. Acta Crystallogr.,Sect.F V. 76 501 2020.
ISSN: ESSN 2053-230X
PubMed: 33006579
DOI: 10.1107/S2053230X2001122X