Magnesium in PDB 6yox: 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-027

The structure of 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-027, PDB code: 6yox 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)	56.01 / 2.05
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.148, 111.890, 62.269, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 24.5

The structure of 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-027 also contains other interesting chemical elements:

Calcium	(Ca)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Magnesium atom in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-027 (pdb code 6yox). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-027, PDB code: 6yox:

Magnesium binding site 1 out of 1 in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-027


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-027 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:27.0 occ:0.74 O A:HOH564 2.0 38.8 1.0 OE1 A:GLU2 2.2 31.4 1.0 O A:HOH478 2.9 26.9 1.0 CD A:GLU2 3.4 29.8 1.0 O A:HOH528 3.7 30.0 1.0 OE2 A:GLU2 3.9 33.1 1.0 O A:HOH614 4.4 27.8 1.0 CG A:GLU2 4.6 28.1 1.0 N A:ARG3 4.7 24.3 1.0 CA A:GLU2 4.7 25.6 1.0 CB A:GLU2 4.7 26.0 1.0 O A:HOH492 5.0 36.0 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