Magnesium in PDB 6zcj: 14-3-3SIGMA in Complex with SLP76PS376 Phosphopeptide Crystal Structure

The structure of 14-3-3SIGMA in Complex with SLP76PS376 Phosphopeptide Crystal Structure, PDB code: 6zcj was solved by L.Soini, S.Leysen, J.Davis, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.40 / 1.53
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.098, 111.876, 62.400, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 19

The binding sites of Magnesium atom in the 14-3-3SIGMA in Complex with SLP76PS376 Phosphopeptide Crystal Structure (pdb code 6zcj). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the 14-3-3SIGMA in Complex with SLP76PS376 Phosphopeptide Crystal Structure, PDB code: 6zcj:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in the 14-3-3SIGMA in Complex with SLP76PS376 Phosphopeptide Crystal Structure


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 14-3-3SIGMA in Complex with SLP76PS376 Phosphopeptide Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:20.6 occ:0.50 OE1 A:GLU2 2.4 27.5 1.0 O A:HOH430 2.4 26.4 1.0 O A:HOH640 2.7 45.6 1.0 CD A:GLU2 3.4 30.4 1.0 OE2 A:GLU2 3.8 25.6 1.0 O A:HOH584 4.3 25.1 1.0 O A:HOH685 4.4 25.8 1.0 CG A:GLU2 4.7 23.9 1.0 CA A:GLU2 4.9 22.3 1.0 N A:ARG3 4.9 20.5 1.0 CB A:GLU2 5.0 22.3 1.0 O A:HOH448 5.0 37.9 1.0

Magnesium binding site 2 out of 5 in the 14-3-3SIGMA in Complex with SLP76PS376 Phosphopeptide Crystal Structure


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 14-3-3SIGMA in Complex with SLP76PS376 Phosphopeptide Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:42.4 occ:1.00 O A:HOH442 2.8 31.8 1.0 O A:HOH506 3.0 31.4 1.0 O A:HOH610 3.2 27.7 1.0 O A:GLU110 3.7 26.9 1.0 CA A:GLY112 3.7 25.1 1.0 N A:GLY112 3.8 24.5 1.0 O A:HOH629 4.1 46.3 1.0 C A:GLY112 4.7 28.2 1.0 OE1 A:GLU35 4.7 27.3 1.0 C A:GLU110 4.7 26.1 1.0 C A:ALA111 4.8 25.3 1.0 OE2 A:GLU35 4.8 30.1 1.0 N A:ASP113 4.9 23.6 1.0

Magnesium binding site 3 out of 5 in the 14-3-3SIGMA in Complex with SLP76PS376 Phosphopeptide Crystal Structure


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of 14-3-3SIGMA in Complex with SLP76PS376 Phosphopeptide Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:27.3 occ:1.00 O A:HOH501 2.3 42.4 1.0 OE1 A:GLU75 2.5 42.7 1.0 O A:HOH599 2.6 50.3 1.0 CD A:GLU75 3.7 44.9 1.0 CB A:GLU75 4.6 56.2 1.0 OE2 A:GLU75 4.6 65.0 1.0 CG A:GLU75 4.6 41.1 1.0 O A:GLY73 4.7 53.9 1.0 CA A:GLU75 4.8 75.2 1.0

Magnesium binding site 4 out of 5 in the 14-3-3SIGMA in Complex with SLP76PS376 Phosphopeptide Crystal Structure


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of 14-3-3SIGMA in Complex with SLP76PS376 Phosphopeptide Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:19.6 occ:1.00 OE2 A:GLU188 2.3 26.9 1.0 CD A:GLU188 3.3 25.8 1.0 CG A:GLU188 3.8 23.1 1.0 OE1 A:GLU188 4.4 26.6 1.0 O A:HOH681 4.5 35.9 1.0

Magnesium binding site 5 out of 5 in the 14-3-3SIGMA in Complex with SLP76PS376 Phosphopeptide Crystal Structure


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of 14-3-3SIGMA in Complex with SLP76PS376 Phosphopeptide Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg305 b:40.0 occ:1.00 O A:THR228 2.4 32.9 1.0 OXT A:THR231 2.4 55.4 1.0 C A:THR231 3.6 55.3 1.0 C A:THR228 3.6 34.5 1.0 O A:THR231 4.1 53.7 1.0 CG2 A:THR228 4.2 36.5 1.0 CA A:THR228 4.3 28.4 1.0 N A:LEU229 4.6 30.5 1.0 N A:THR231 4.6 33.1 1.0 CA A:THR231 4.7 33.6 1.0 CA A:LEU229 4.8 28.8 1.0 C A:LEU229 4.8 33.3 1.0 O A:LEU229 4.8 31.7 1.0 CB A:THR228 4.9 32.7 1.0 OG1 A:THR231 4.9 40.3 1.0

L.Soini, S.Leysen, J.Davis, C.Ottmann. 14-3-3SIGMA in Complex with SLP76PS376 Phosphopeptide Crystal Structure To Be Published.