Chlorine in PDB 7o59: 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-192

The structure of 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-192, PDB code: 7o59 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)	66.55 / 1.20
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.679, 112.141, 62.613, 90, 90, 90
R / Rfree (%)	18.4 / 20.2

The binding sites of Chlorine atom in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-192 (pdb code 7o59). 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 TCF521-192, PDB code: 7o59:

Chlorine binding site 1 out of 1 in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-192


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 TCF521-192 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:15.8 occ:1.00 O A:GLU110 2.3 16.5 1.0 O A:HOH556 2.3 21.3 1.0 O A:HOH594 2.3 20.4 1.0 OE2 A:GLU35 2.4 17.3 1.0 OE1 A:GLU35 2.8 19.6 1.0 CD A:GLU35 2.9 16.9 1.0 C A:GLU110 3.5 14.0 1.0 N A:GLY112 4.1 15.9 1.0 CG A:GLU35 4.4 15.3 1.0 CA A:GLU110 4.4 14.0 1.0 N A:ALA111 4.4 14.2 1.0 CB A:GLU110 4.5 14.2 1.0 O A:HOH478 4.5 22.4 1.0 CA A:ALA111 4.5 14.3 1.0 OE1 A:GLU110 4.7 26.7 1.0 O A:HOH465 4.7 27.9 1.0 C A:ALA111 4.7 13.5 1.0 CA A:GLY112 4.9 13.6 1.0 O A:HOH505 4.9 20.2 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