Magnesium in PDB 6y3m: 14-3-3 Sigma in Complex with Phosphorylated Atpase Peptide

The structure of 14-3-3 Sigma in Complex with Phosphorylated Atpase Peptide, PDB code: 6y3m 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)	34.42 / 1.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.254, 112.452, 62.885, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 19.7

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

Calcium

(Ca)

1 atom

The binding sites of Magnesium atom in the 14-3-3 Sigma in Complex with Phosphorylated Atpase Peptide (pdb code 6y3m). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the 14-3-3 Sigma in Complex with Phosphorylated Atpase Peptide, PDB code: 6y3m:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the 14-3-3 Sigma in Complex with Phosphorylated Atpase 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 Atpase Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:19.4 occ:0.00 O A:HOH571 2.3 18.7 1.0 OE2 A:GLU188 2.4 19.0 1.0 CD A:GLU188 3.4 17.3 1.0 CG A:GLU188 3.7 15.3 1.0 O A:HOH846 4.4 44.9 1.0 OE1 A:GLU188 4.5 19.9 1.0 O A:HOH791 4.6 28.7 1.0 CB A:GLU188 5.0 13.4 1.0

Magnesium binding site 2 out of 3 in the 14-3-3 Sigma in Complex with Phosphorylated Atpase 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 Atpase Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:17.4 occ:0.00 O A:ALA-3 2.3 27.8 1.0 OG A:SER0 2.5 17.9 1.0 N A:SER0 3.1 11.8 1.0 C A:ALA-3 3.2 22.5 1.0 C A:MET-2 3.2 12.6 1.0 CA A:MET-2 3.3 15.2 1.0 N A:GLY-1 3.4 14.1 1.0 CB A:SER0 3.5 13.5 1.0 N A:MET-2 3.6 21.0 1.0 CA A:SER0 3.7 10.7 1.0 O A:MET-2 3.7 13.4 1.0 N A:MET1 3.8 9.8 1.0 C A:SER0 4.0 10.6 1.0 C A:GLY-1 4.1 11.9 1.0 O A:HOH673 4.3 27.6 1.0 CA A:GLY-1 4.3 14.0 1.0 CA A:ALA-3 4.4 25.6 1.0 CB A:MET-2 4.7 15.3 1.0 CB A:MET1 4.7 11.2 1.0 O A:GLY-4 4.7 27.9 1.0 O A:HOH814 4.7 36.6 1.0 CA A:MET1 4.8 9.4 1.0

Magnesium binding site 3 out of 3 in the 14-3-3 Sigma in Complex with Phosphorylated Atpase Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of 14-3-3 Sigma in Complex with Phosphorylated Atpase Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:20.3 occ:0.90 O A:HOH476 2.0 24.8 1.0 O A:HOH572 2.2 33.4 1.0 OE1 A:GLU89 2.4 17.2 1.0 O A:HOH716 2.4 29.3 1.0 O A:HOH681 2.5 30.0 1.0 O A:HOH493 2.5 33.5 1.0 CD A:GLU89 3.4 11.8 1.0 CG A:GLU89 4.1 10.4 1.0 O A:HOH554 4.2 25.4 1.0 OE2 A:GLU89 4.3 13.3 1.0 NH1 A:ARG85 4.4 15.8 1.0 O A:HOH489 4.4 28.1 1.0 OE1 A:GLN93 4.5 14.1 1.0 O A:HOH689 4.6 31.4 1.0 NE2 A:GLN93 4.7 14.4 1.0 CB A:GLU89 4.7 11.8 1.0 CG A:GLU86 4.8 17.3 1.0 OG1 A:THR90 4.8 15.8 1.0 CD A:GLN93 5.0 16.0 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