Chlorine in PDB 6ypl: 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-037

The structure of 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-037, PDB code: 6ypl 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)	66.66 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.667, 112.708, 62.765, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 22.9

The binding sites of Chlorine atom in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-037 (pdb code 6ypl). 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 TCF521-037, PDB code: 6ypl:

Chlorine binding site 1 out of 1 in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-037


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 TCF521-037 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:21.2 occ:1.00 O A:HOH610 2.9 22.9 1.0 O A:HOH631 2.9 26.9 1.0 CA A:TYR84 3.8 9.0 1.0 O A:GLU83 3.9 9.5 1.0 CD A:LYS87 3.9 17.8 0.4 CD A:LYS87 3.9 17.8 0.6 N A:TYR84 4.0 7.1 1.0 C A:GLU83 4.0 11.4 1.0 CB A:LYS87 4.1 14.4 0.4 CB A:LYS87 4.1 14.4 0.6 CD1 A:TYR84 4.1 7.1 1.0 CB A:TYR84 4.3 7.4 1.0 CB A:GLU83 4.4 11.4 1.0 O A:HOH461 4.4 13.8 1.0 CG A:LYS87 4.6 17.1 0.6 CG A:LYS87 4.6 17.1 0.4 CG A:TYR84 4.7 7.4 1.0 CA A:GLU83 4.8 9.5 1.0 O A:HOH647 4.8 37.8 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