Calcium in PDB 7o5u: 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-168

The structure of 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-168, PDB code: 7o5u 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)	45.64 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.595, 112.491, 62.688, 90, 90, 90
R / Rfree (%)	18.9 / 22.3

The structure of 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-168 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Calcium atom in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-168 (pdb code 7o5u). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-168, PDB code: 7o5u:

Calcium binding site 1 out of 1 in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-168


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-168 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:20.1 occ:0.50 OE1 A:GLU2 2.5 15.4 1.0 O A:HOH592 2.5 32.1 1.0 O A:HOH446 2.5 12.4 1.0 O A:HOH636 2.9 36.4 1.0 CD A:GLU2 3.4 14.4 1.0 OE2 A:GLU2 3.8 13.8 1.0 O A:HOH560 4.3 10.5 1.0 O A:HOH455 4.5 12.9 1.0 CG A:GLU2 4.7 10.8 1.0 CA A:GLU2 4.9 10.5 1.0 N A:ARG3 5.0 7.7 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