Magnesium in PDB 6y1j: 14-3-3 Sigma in Complex with Ikappabalpha PS63 Peptide

The structure of 14-3-3 Sigma in Complex with Ikappabalpha PS63 Peptide, PDB code: 6y1j 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)	45.49 / 1.13
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.460, 111.820, 62.480, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 18.3

The structure of 14-3-3 Sigma in Complex with Ikappabalpha PS63 Peptide also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Chlorine	(Cl)	1 atom

The binding sites of Magnesium atom in the 14-3-3 Sigma in Complex with Ikappabalpha PS63 Peptide (pdb code 6y1j). 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 in Complex with Ikappabalpha PS63 Peptide, PDB code: 6y1j:

Magnesium binding site 1 out of 1 in the 14-3-3 Sigma in Complex with Ikappabalpha PS63 Peptide


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 in Complex with Ikappabalpha PS63 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:16.8 occ:1.00 O A:GLU161 2.3 12.8 1.0 O A:HOH622 2.4 31.0 1.0 O A:HOH572 2.5 23.8 1.0 C A:GLU161 3.5 10.6 1.0 HA A:MET162 3.6 11.7 1.0 HB3 A:GLU161 4.0 13.0 1.0 HA A:GLU161 4.1 12.0 1.0 HD3 A:PRO163 4.2 14.1 1.0 CA A:GLU161 4.3 10.0 1.0 N A:MET162 4.4 9.5 1.0 CA A:MET162 4.4 9.8 1.0 OE2 A:GLU115 4.6 26.9 1.0 CB A:GLU161 4.7 10.9 1.0 OE1 A:GLU161 4.8 25.3 1.0 HD2 A:PRO163 4.9 14.1 1.0 CD A:PRO163 4.9 11.8 1.0 HG2 A:MET162 5.0 13.3 1.0

M.Wolter, C.Ottmann. Interaction of An Ikappabalpha Peptide with 14-3-3 Acs Omega 2020.
ISSN: ESSN 2470-1343
DOI: 10.1021/ACSOMEGA.9B04413