Chlorine in PDB 8ru4: Crystal Structure of Human Catenin Beta-1 in Complex with Stitched Peptide Inhibitor

The structure of Crystal Structure of Human Catenin Beta-1 in Complex with Stitched Peptide Inhibitor, PDB code: 8ru4 was solved by A.Yeste Vazquez, C.I.R.Klintrot, T.N.Grossmann, S.Hennig, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	93.96 / 2.13
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.567, 103.617, 187.923, 90, 90, 90
R / Rfree (%)	20.1 / 24

The structure of Crystal Structure of Human Catenin Beta-1 in Complex with Stitched Peptide Inhibitor also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Human Catenin Beta-1 in Complex with Stitched Peptide Inhibitor (pdb code 8ru4). 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 Crystal Structure of Human Catenin Beta-1 in Complex with Stitched Peptide Inhibitor, PDB code: 8ru4:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human Catenin Beta-1 in Complex with Stitched Peptide Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Catenin Beta-1 in Complex with Stitched Peptide Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl706 b:30.7 occ:1.00 O A:HOH828 3.0 13.9 1.0 CE1 A:HIS499 3.6 21.2 1.0 CB A:ARG535 3.8 19.5 1.0 N A:ARG535 3.9 19.4 1.0 CA A:ARG535 4.1 20.6 1.0 NE2 A:HIS499 4.1 20.4 1.0 CG A:PRO534 4.2 21.9 1.0 CB A:PRO534 4.2 22.3 1.0 O A:GLY531 4.3 20.4 1.0 C A:PRO534 4.4 17.8 1.0 CD A:ARG535 4.5 19.2 1.0 CG A:ARG535 4.6 19.8 1.0 ND1 A:HIS499 4.7 19.7 1.0 CA A:PRO534 4.9 21.9 1.0

A.Yeste-Vazquez, F.M.Paulussen, M.Wendt, R.Klintrot, C.Schulte, K.Wallraven, L.Van Gijzel, B.Simeonov, M.Van Der Gaag, A.Gerber, H.M.Maric, S.Hennig, T.N.Grossmann. Structure-Based Design of Bicyclic Helical Peptides That Target the Oncogene Beta-Catenin. Angew.Chem.Int.Ed.Engl. 11749 2024.
ISSN: ESSN 1521-3773
PubMed: 39167026
DOI: 10.1002/ANIE.202411749