Chlorine in PDB 6y8e: 14-3-3 Sigma in Complex with Phosphorylated MLF1 Peptide

The structure of 14-3-3 Sigma in Complex with Phosphorylated MLF1 Peptide, PDB code: 6y8e 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)	29.28 / 1.42
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.167, 112.045, 62.616, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 20.1

The structure of 14-3-3 Sigma in Complex with Phosphorylated MLF1 Peptide also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Calcium	(Ca)	2 atoms

The binding sites of Chlorine atom in the 14-3-3 Sigma in Complex with Phosphorylated MLF1 Peptide (pdb code 6y8e). 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 MLF1 Peptide, PDB code: 6y8e:

Chlorine binding site 1 out of 1 in the 14-3-3 Sigma in Complex with Phosphorylated MLF1 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 MLF1 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:18.1 occ:0.00 O A:HOH685 2.9 30.9 1.0 O A:HOH625 3.1 26.3 1.0 CA A:TYR84 3.8 13.7 1.0 O A:GLU83 3.9 15.3 1.0 CD A:LYS87 3.9 26.4 1.0 C A:GLU83 4.0 13.7 1.0 N A:TYR84 4.0 14.1 1.0 CD1 A:TYR84 4.1 14.9 1.0 CB A:LYS87 4.1 18.4 1.0 CB A:TYR84 4.2 14.8 1.0 CB A:GLU83 4.3 16.9 1.0 CG A:LYS87 4.6 20.0 1.0 CG A:TYR84 4.6 13.7 1.0 O A:HOH481 4.6 26.9 1.0 CA A:GLU83 4.9 15.6 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