Magnesium in PDB 7o34: 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-043

The structure of 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-043, PDB code: 7o34 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)	45.58 / 1.20
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.553, 112.318, 62.58, 90, 90, 90
R / Rfree (%)	18.8 / 20.6

The binding sites of Magnesium atom in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-043 (pdb code 7o34). 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 TCF521-043, PDB code: 7o34:

Magnesium binding site 1 out of 1 in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-043


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 TCF521-043 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:15.7 occ:0.50 O A:HOH473 2.2 23.0 1.0 OE1 A:GLU2 2.4 16.5 1.0 O A:HOH420 2.6 16.9 1.0 O A:HOH589 2.8 28.6 1.0 CD A:GLU2 3.4 15.3 1.0 OE2 A:GLU2 3.7 16.3 1.0 O A:HOH538 4.3 17.1 1.0 O A:HOH613 4.5 16.3 1.0 CG A:GLU2 4.7 14.7 1.0 CA A:GLU2 4.9 12.0 1.0 N A:ARG3 5.0 12.6 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