Chlorine in PDB 6yoy: 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-025

The structure of 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-025, PDB code: 6yoy 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)	41.27 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.663, 112.365, 62.656, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 23.4

The binding sites of Chlorine atom in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-025 (pdb code 6yoy). 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 TCF521-025, PDB code: 6yoy:

Chlorine binding site 1 out of 1 in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-025


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 TCF521-025 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:21.6 occ:1.00 O A:HOH662 2.9 24.8 1.0 O A:HOH639 2.9 27.6 1.0 HA A:TYR84 3.1 15.5 1.0 HD1 A:TYR84 3.2 8.3 1.0 HD3 A:LYS87 3.4 27.4 1.0 HD2 A:LYS87 3.4 27.4 1.0 HB2 A:LYS87 3.5 19.5 1.0 HB3 A:GLU83 3.7 10.3 1.0 HB2 A:TYR84 3.8 11.4 1.0 CD A:LYS87 3.8 22.8 1.0 CA A:TYR84 3.8 12.9 1.0 HB3 A:LYS87 3.9 19.5 1.0 O A:GLU83 4.0 8.9 1.0 CD1 A:TYR84 4.1 7.0 1.0 N A:TYR84 4.1 9.1 1.0 C A:GLU83 4.1 11.8 1.0 CB A:LYS87 4.1 16.3 1.0 CB A:TYR84 4.2 9.5 1.0 HB2 A:GLU83 4.5 10.3 1.0 CB A:GLU83 4.5 8.6 1.0 O A:HOH432 4.5 17.0 1.0 H A:TYR84 4.6 10.9 1.0 CG A:LYS87 4.6 20.7 1.0 CG A:TYR84 4.6 6.4 1.0 HG3 A:LYS87 4.8 24.8 1.0 CA A:GLU83 4.9 9.4 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