Chlorine in PDB 6y8b: 14-3-3 Sigma in Complex with Phosphorylated Caspase{PS139} Peptide

The structure of 14-3-3 Sigma in Complex with Phosphorylated Caspase{PS139} Peptide, PDB code: 6y8b 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)	30.05 / 1.54
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.797, 112.964, 62.446, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 21.2

The structure of 14-3-3 Sigma in Complex with Phosphorylated Caspase{PS139} 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 Caspase{PS139} Peptide (pdb code 6y8b). 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 Caspase{PS139} Peptide, PDB code: 6y8b:

Chlorine binding site 1 out of 1 in the 14-3-3 Sigma in Complex with Phosphorylated Caspase{PS139} 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 Caspase{PS139} Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:17.5 occ:0.00 O A:HOH632 3.1 25.2 1.0 O A:HOH702 3.1 31.2 1.0 CA A:TYR84 3.6 14.8 1.0 N A:TYR84 3.8 13.2 1.0 CD1 A:TYR84 3.9 14.8 1.0 O A:GLU83 3.9 14.3 1.0 C A:GLU83 3.9 11.5 1.0 CB A:TYR84 3.9 14.1 1.0 CD A:LYS87 4.0 25.4 1.0 CB A:LYS87 4.1 14.3 1.0 CB A:GLU83 4.3 15.5 1.0 CG A:TYR84 4.4 12.4 1.0 O A:HOH452 4.6 25.8 1.0 CG A:LYS87 4.6 18.5 1.0 CA A:GLU83 4.8 15.2 1.0 C A:TYR84 4.8 16.1 1.0 CE1 A:TYR84 4.9 13.1 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