Magnesium in PDB 6y8e: 14-3-3 Sigma in Complex with Phosphorylated MLF1 Peptide

The structure of 14-3-3 Sigma in Complex with Phosphorylated MLF1 Peptide, PDB code: 6y8e 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)	29.28 / 1.42
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.167, 112.045, 62.616, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 20.1

The structure of 14-3-3 Sigma in Complex with Phosphorylated MLF1 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 Phosphorylated MLF1 Peptide (pdb code 6y8e). 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 MLF1 Peptide, PDB code: 6y8e:
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 MLF1 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 MLF1 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:28.1 occ:0.00 O A:HOH652 2.3 37.4 1.0 O A:HOH451 2.3 32.5 1.0 O A:HOH581 2.3 38.7 1.0 OE2 A:GLU89 2.4 22.3 1.0 CD A:GLU89 3.5 16.8 1.0 O A:HOH521 4.0 33.5 1.0 O A:HOH657 4.1 37.8 1.0 CG A:GLU89 4.3 15.2 1.0 NH1 A:ARG85 4.3 21.8 1.0 OE1 A:GLU89 4.4 16.2 1.0 CG A:GLU86 4.6 21.4 1.0 OE1 A:GLN93 4.8 19.7 1.0 O A:HOH649 4.8 40.4 1.0 CB A:GLU89 4.9 15.8 1.0 NE2 A:GLN93 4.9 18.2 1.0

Magnesium binding site 2 out of 2 in the 14-3-3 Sigma in Complex with Phosphorylated MLF1 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 MLF1 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:24.0 occ:0.00 O A:HOH613 2.2 32.6 1.0 OE1 A:GLU2 2.3 17.7 1.0 O A:HOH442 2.4 19.1 1.0 O A:HOH634 2.5 34.0 1.0 CD A:GLU2 3.3 18.8 1.0 OE2 A:GLU2 3.7 17.5 1.0 O A:HOH583 4.3 18.5 1.0 O A:HOH715 4.5 21.1 1.0 CG A:GLU2 4.6 15.4 1.0 CA A:GLU2 4.8 12.8 1.0 CB A:GLU2 4.9 13.3 1.0 N A:ARG3 5.0 13.5 1.0 O A:HOH466 5.0 26.2 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