Chlorine in PDB 6yox: 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-027

The structure of 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-027, PDB code: 6yox was solved by M.Wolter, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.01 / 2.05
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.148, 111.890, 62.269, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 24.5

The structure of 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-027 also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Calcium	(Ca)	1 atom

The binding sites of Chlorine atom in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-027 (pdb code 6yox). 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 with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-027, PDB code: 6yox:

Chlorine binding site 1 out of 1 in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-027


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 with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-027 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:36.0 occ:1.00 O A:HOH577 2.8 30.9 1.0 O A:HOH566 3.0 37.5 1.0 CA A:TYR84 3.8 26.7 1.0 O A:GLU83 4.0 22.1 1.0 N A:TYR84 4.0 24.3 1.0 CD1 A:TYR84 4.1 25.2 1.0 C A:GLU83 4.1 24.1 1.0 CD A:LYS87 4.1 44.8 1.0 CB A:LYS87 4.2 35.8 1.0 CB A:TYR84 4.2 26.5 1.0 CB A:GLU83 4.3 25.6 1.0 O A:HOH450 4.5 35.9 1.0 CG A:TYR84 4.6 26.1 1.0 CG A:LYS87 4.6 38.3 1.0 CA A:GLU83 4.9 26.1 1.0

M.Wolter, D.Valenti, P.J.Cossar, L.M.Levy, S.Hristeva, T.Genski, T.Hoffmann, L.Brunsveld, D.Tzalis, C.Ottmann. Fragment-Based Stabilizers of Protein-Protein Interactions Through Imine-Based Tethering. Angew.Chem.Int.Ed.Engl. 2020.
ISSN: ESSN 1521-3773
PubMed: 32816380
DOI: 10.1002/ANIE.202008585