Magnesium in PDB 6y3s: 14-3-3 Sigma in Complex with Phosphorylated (PS210) GAB2 Peptide

The structure of 14-3-3 Sigma in Complex with Phosphorylated (PS210) GAB2 Peptide, PDB code: 6y3s was solved by A.Ballone, R.A.Lau, F.P.A.Zweipfenning, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.43 / 1.95
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.451, 112.144, 62.706, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 21.1

The binding sites of Magnesium atom in the 14-3-3 Sigma in Complex with Phosphorylated (PS210) GAB2 Peptide (pdb code 6y3s). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the 14-3-3 Sigma in Complex with Phosphorylated (PS210) GAB2 Peptide, PDB code: 6y3s:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the 14-3-3 Sigma in Complex with Phosphorylated (PS210) GAB2 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 Phosphorylated (PS210) GAB2 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:26.3 occ:0.00 OE2 A:GLU188 2.3 23.2 1.0 CD A:GLU188 3.3 23.7 1.0 CG A:GLU188 3.7 23.4 1.0 OE1 A:GLU188 4.3 25.4 1.0 O A:HOH769 4.4 28.2 1.0 O A:HOH620 4.9 23.5 1.0 CB A:GLU188 5.0 21.8 1.0

Magnesium binding site 2 out of 2 in the 14-3-3 Sigma in Complex with Phosphorylated (PS210) GAB2 Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 14-3-3 Sigma in Complex with Phosphorylated (PS210) GAB2 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:20.2 occ:0.00 O A:HOH569 2.1 26.2 1.0 O A:ALA-3 2.2 30.3 1.0 OG A:SER0 2.2 21.6 1.0 N A:SER0 2.9 11.5 1.0 C A:ALA-3 3.1 27.3 1.0 CB A:SER0 3.3 12.8 1.0 C A:MET-2 3.4 15.9 1.0 CA A:MET-2 3.4 18.6 1.0 N A:GLY-1 3.4 19.3 1.0 CA A:SER0 3.5 16.2 1.0 N A:MET-2 3.6 22.4 1.0 N A:MET1 3.8 14.5 1.0 O A:MET-2 3.9 14.9 1.0 C A:GLY-1 4.0 15.4 1.0 C A:SER0 4.0 14.8 1.0 O A:HOH612 4.2 24.8 1.0 CA A:GLY-1 4.2 18.1 1.0 CA A:ALA-3 4.2 27.1 1.0 O A:GLY-4 4.7 29.3 1.0 CB A:MET1 4.8 14.3 1.0 CB A:MET-2 4.9 17.5 1.0 CA A:MET1 4.9 12.5 1.0

A.Ballone, R.A.Lau, F.P.A.Zweipfenning, C.Ottmann. A New Soaking Procedure For X-Ray Crystallographic Structural Determination of Protein-Peptide Complexes. Acta Crystallogr.,Sect.F V. 76 501 2020.
ISSN: ESSN 2053-230X
PubMed: 33006579
DOI: 10.1107/S2053230X2001122X