Chlorine in PDB 7o6j: 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-083

The structure of 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-083, PDB code: 7o6j 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)	45.61 / 1.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.529, 112.182, 62.696, 90, 90, 90
R / Rfree (%)	16.9 / 18.2

The binding sites of Chlorine atom in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-083 (pdb code 7o6j). 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 TCF521-083, PDB code: 7o6j:

Chlorine binding site 1 out of 1 in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-083


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 TCF521-083 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:18.8 occ:1.00 O A:GLU110 2.3 17.7 0.5 O A:HOH606 2.3 25.1 1.0 O A:HOH521 2.4 26.3 1.0 O A:GLU110 2.4 19.0 0.5 OE2 A:GLU35 2.5 23.4 1.0 OE1 A:GLU35 2.7 27.3 1.0 CD A:GLU35 2.9 27.4 1.0 C A:GLU110 3.5 15.8 0.5 C A:GLU110 3.6 15.6 0.5 N A:GLY112 4.1 19.5 1.0 O A:HOH616 4.2 31.5 1.0 CG A:GLU35 4.4 19.3 1.0 CA A:GLU110 4.4 15.1 0.5 CA A:GLU110 4.4 14.9 0.5 N A:ALA111 4.5 15.1 1.0 CB A:GLU110 4.5 15.6 0.5 CA A:ALA111 4.5 16.0 1.0 O A:HOH479 4.5 27.8 1.0 OE1 A:GLU110 4.6 18.3 0.5 CB A:GLU110 4.6 16.7 0.5 C A:ALA111 4.7 15.4 1.0 CA A:GLY112 4.8 19.1 1.0

M.Wolter, D.Valenti, P.J.Cossar, S.Hristeva, L.M.Levy, T.Genski, T.Hoffmann, L.Brunsveld, D.Tzalis, C.Ottmann. An Exploration of Chemical Properties Required For Cooperative Stabilization of the 14-3-3 Interaction with Nf-Kappa B-Utilizing A Reversible Covalent Tethering Approach. J.Med.Chem. 2021.
ISSN: ISSN 0022-2623
PubMed: 34076416
DOI: 10.1021/ACS.JMEDCHEM.1C00401