Chlorine in PDB 7o3f: 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-117

The structure of 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-117, PDB code: 7o3f 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)	41.89 / 1.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.616, 112.69, 62.647, 90, 90, 90
R / Rfree (%)	19.5 / 22.5

The structure of 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-117 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-117 (pdb code 7o3f). 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 TCF521-117, PDB code: 7o3f:

Chlorine binding site 1 out of 1 in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-117


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 TCF521-117 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:24.2 occ:1.00 O A:HOH573 2.3 28.8 1.0 O A:HOH476 2.3 31.8 1.0 OE2 A:GLU35 2.4 24.1 1.0 O A:GLU110 2.4 28.3 1.0 OE1 A:GLU35 2.8 35.3 1.0 CD A:GLU35 3.0 31.4 1.0 C A:GLU110 3.6 27.4 1.0 N A:GLY112 4.1 28.2 1.0 CA A:GLU110 4.4 23.6 1.0 CG A:GLU35 4.4 23.7 1.0 N A:ALA111 4.5 25.2 1.0 CB A:GLU110 4.5 25.1 1.0 O A:HOH511 4.6 37.7 1.0 CA A:ALA111 4.6 25.2 1.0 OE1 A:GLU110 4.6 43.7 1.0 O A:HOH466 4.8 41.8 1.0 C A:ALA111 4.8 25.3 1.0 CA A:GLY112 4.8 31.1 1.0 O A:HOH443 4.8 31.3 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