Magnesium in PDB 6ylu: 14-3-3SIGMA in Complex with BLNKPT152 Phosphopeptide Crystal Structure

The structure of 14-3-3SIGMA in Complex with BLNKPT152 Phosphopeptide Crystal Structure, PDB code: 6ylu 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)	26.63 / 1.88
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.250, 112.110, 62.520, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 21.1

The binding sites of Magnesium atom in the 14-3-3SIGMA in Complex with BLNKPT152 Phosphopeptide Crystal Structure (pdb code 6ylu). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the 14-3-3SIGMA in Complex with BLNKPT152 Phosphopeptide Crystal Structure, PDB code: 6ylu:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the 14-3-3SIGMA in Complex with BLNKPT152 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 BLNKPT152 Phosphopeptide Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:4.5 occ:0.50 OE1 A:GLU2 2.3 12.7 1.0 O A:HOH648 2.4 32.5 1.0 O A:HOH445 2.5 11.9 1.0 CD A:GLU2 3.3 12.9 1.0 OE2 A:GLU2 3.7 11.0 1.0 O A:HOH598 4.3 8.2 1.0 O A:HOH750 4.5 11.7 1.0 CG A:GLU2 4.6 7.5 1.0 CA A:GLU2 4.8 9.2 1.0 O A:HOH474 4.9 22.4 1.0 CB A:GLU2 4.9 7.7 1.0 N A:ARG3 4.9 7.3 1.0

Magnesium binding site 2 out of 3 in the 14-3-3SIGMA in Complex with BLNKPT152 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 BLNKPT152 Phosphopeptide Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:6.0 occ:1.00 O A:HOH718 3.0 18.9 1.0 O A:HOH651 3.0 15.5 1.0 CD A:LYS87 3.6 13.2 0.3 CA A:TYR84 3.8 7.2 1.0 CB A:LYS87 4.0 9.0 0.3 CB A:LYS87 4.0 9.0 0.7 O A:GLU83 4.0 7.3 1.0 CD1 A:TYR84 4.0 5.4 1.0 N A:TYR84 4.1 5.0 1.0 C A:GLU83 4.1 5.7 1.0 CD A:LYS87 4.1 16.5 0.7 CB A:TYR84 4.2 4.6 1.0 CG A:LYS87 4.4 13.9 0.3 CG A:LYS87 4.4 13.9 0.7 CB A:GLU83 4.5 9.4 1.0 O A:HOH461 4.5 14.3 1.0 CG A:TYR84 4.6 5.2 1.0 O A:HOH723 4.8 35.5 1.0 NZ A:LYS87 4.8 13.9 0.3 CE A:LYS87 4.8 22.8 0.3 CA A:GLU83 5.0 7.3 1.0

Magnesium binding site 3 out of 3 in the 14-3-3SIGMA in Complex with BLNKPT152 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 BLNKPT152 Phosphopeptide Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:5.4 occ:1.00 O A:HOH497 2.2 20.9 1.0 OE2 A:GLU188 2.4 15.1 1.0 CD A:GLU188 3.3 13.8 1.0 CG A:GLU188 3.8 8.8 1.0 OE1 A:GLU188 4.4 12.8 1.0 O A:HOH752 4.5 30.8 1.0

L.Soini, S.Leysen, J.Davis, C.Ottmann. 14-3-3SIGMA in Complex with BLNKPT152 Phosphopeptide Crystal Structure J.Struct.Biol. 2020.
ISSN: ESSN 1095-8657