Chlorine in PDB 8bfc: Binary Structure of 14-3-3S and RND3 Phosphopeptide

The structure of Binary Structure of 14-3-3S and RND3 Phosphopeptide, PDB code: 8bfc was solved by B.A.Somsen, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.59 / 1.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.366, 112.395, 62.68, 90, 90, 90
R / Rfree (%)	16.4 / 17.2

The structure of Binary Structure of 14-3-3S and RND3 Phosphopeptide also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Chlorine atom in the Binary Structure of 14-3-3S and RND3 Phosphopeptide (pdb code 8bfc). 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 Binary Structure of 14-3-3S and RND3 Phosphopeptide, PDB code: 8bfc:

Chlorine binding site 1 out of 1 in the Binary Structure of 14-3-3S and RND3 Phosphopeptide


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 RND3 Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:20.0 occ:1.00 NZ A:LYS9 3.2 10.7 1.0 CD A:LYS9 3.7 9.8 1.0 CE A:LYS9 3.8 8.8 1.0 CZ A:PHE25 4.3 9.2 1.0 CE1 A:PHE25 4.5 8.8 1.0 CE A:MET1 4.6 14.0 1.0 CG A:LYS9 4.9 8.8 1.0

B.A.Somsen, R.J.C.Schellekens, C.J.A.Verhoef, M.R.Arkin, C.Ottmann, P.J.Cossar, L.Brunsveld. Reversible Dual-Covalent Molecular Locking of the 14-3-3/Err Gamma Protein-Protein Interaction As A Molecular Glue Drug Discovery Approach. J.Am.Chem.Soc. 2023.
ISSN: ESSN 1520-5126
PubMed: 36926879
DOI: 10.1021/JACS.2C12781