Magnesium in PDB 6y3r: 14-3-3 Sigma in Complex with Phosphorylated (THR391) GAB2 Peptide

The structure of 14-3-3 Sigma in Complex with Phosphorylated (THR391) GAB2 Peptide, PDB code: 6y3r 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)	45.44 / 1.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.438, 111.896, 62.349, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 22

The binding sites of Magnesium atom in the 14-3-3 Sigma in Complex with Phosphorylated (THR391) GAB2 Peptide (pdb code 6y3r). 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 (THR391) GAB2 Peptide, PDB code: 6y3r:
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 (THR391) 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 (THR391) GAB2 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:20.0 occ:0.00 O A:HOH478 2.1 22.9 1.0 OE2 A:GLU188 2.4 15.0 1.0 CD A:GLU188 3.4 17.9 1.0 CG A:GLU188 3.8 13.8 1.0 OE1 A:GLU188 4.5 18.4 1.0 O A:HOH719 4.5 29.5 1.0

Magnesium binding site 2 out of 2 in the 14-3-3 Sigma in Complex with Phosphorylated (THR391) 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 (THR391) GAB2 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:20.5 occ:0.00 O A:ALA-3 2.4 25.7 1.0 OG A:SER0 2.5 18.9 1.0 N A:SER0 3.0 11.7 1.0 C A:ALA-3 3.4 22.8 1.0 C A:MET-2 3.4 14.2 1.0 CB A:SER0 3.4 11.4 1.0 CA A:MET-2 3.5 16.6 1.0 N A:GLY-1 3.5 12.9 1.0 CA A:SER0 3.6 10.9 1.0 N A:MET-2 3.8 18.9 1.0 N A:MET1 3.8 10.1 1.0 O A:MET-2 3.9 11.3 1.0 C A:SER0 4.0 11.9 1.0 C A:GLY-1 4.1 14.0 1.0 CA A:GLY-1 4.4 15.0 1.0 CA A:ALA-3 4.6 26.1 1.0 O A:HOH739 4.6 32.8 1.0 CB A:MET1 4.7 9.2 1.0 O A:GLY-4 4.8 26.0 1.0 CA A:MET1 4.8 7.7 1.0 CB A:MET-2 4.9 13.7 1.0 O A:HOH615 4.9 26.4 1.0 O A:SER0 5.0 12.7 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