Magnesium in PDB 8anb: 14-3-3 Sigma Sirtuin-1 Phospho-Peptide Complex

The structure of 14-3-3 Sigma Sirtuin-1 Phospho-Peptide Complex, PDB code: 8anb was solved by M.Weyand, C.Steegborn, L.Debbert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.89 / 1.64
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.01, 95.55, 79.94, 90, 90, 90
R / Rfree (%)	17.6 / 20.4

The structure of 14-3-3 Sigma Sirtuin-1 Phospho-Peptide Complex also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the 14-3-3 Sigma Sirtuin-1 Phospho-Peptide Complex (pdb code 8anb). 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 Sirtuin-1 Phospho-Peptide Complex, PDB code: 8anb:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the 14-3-3 Sigma Sirtuin-1 Phospho-Peptide Complex


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 Sirtuin-1 Phospho-Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:17.4 occ:0.60 MG A:MG301 0.0 17.4 0.6 MG A:MG301 2.1 24.7 0.4 OE2 A:GLU89 2.3 22.1 1.0 O A:HOH623 2.3 42.1 1.0 O A:HOH537 2.9 32.0 1.0 O A:HOH640 3.5 38.8 1.0 CD A:GLU89 3.6 20.6 1.0 O A:HOH607 4.3 30.9 1.0 O A:HOH481 4.3 14.8 1.0 OE1 A:GLU89 4.4 20.3 1.0 O A:HOH485 4.4 20.7 1.0 NE2 A:GLN93 4.5 15.2 1.0 O A:HOH439 4.6 39.8 1.0 CG A:GLU89 4.6 18.6 1.0 O A:VAL134 4.6 17.8 1.0 NH1 A:ARG85 4.8 27.0 1.0

Magnesium binding site 2 out of 2 in the 14-3-3 Sigma Sirtuin-1 Phospho-Peptide Complex


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 Sirtuin-1 Phospho-Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:24.7 occ:0.40 MG A:MG301 0.0 24.7 0.4 MG A:MG301 2.1 17.4 0.6 OE2 A:GLU89 2.7 22.1 1.0 O A:VAL134 2.8 17.8 1.0 O A:HOH481 2.9 14.8 1.0 CD A:GLU89 3.7 20.6 1.0 O A:HOH485 3.7 20.7 1.0 O A:HOH640 3.8 38.8 1.0 C A:VAL134 3.8 16.2 1.0 NE2 A:GLN93 3.8 15.2 1.0 CA A:ALA135 3.8 15.6 1.0 N A:THR136 4.0 17.6 1.0 C A:ALA135 4.2 16.8 1.0 O A:HOH537 4.2 32.0 1.0 OG1 A:THR136 4.2 23.9 1.0 N A:ALA135 4.3 15.0 1.0 O A:HOH623 4.3 42.1 1.0 OE1 A:GLU89 4.4 20.3 1.0 CG2 A:THR136 4.5 22.4 1.0 CG A:GLU89 4.6 18.6 1.0 O A:HOH588 4.8 14.5 1.0 CB A:THR136 4.8 22.0 1.0 CG2 A:VAL134 4.8 15.7 1.0 CD A:GLN93 4.9 14.9 1.0 OD2 A:ASP139 4.9 15.6 1.0

M.Weyand, C.Steegborn. 14-3-3 Sigma Sirtuin-1 Phospho-Peptide Complex To Be Published.