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

All present enzymatic activity of 14-3-3 Sigma Sirtuin-3 Phospho-Peptide Complex:
2.3.1.286;

The structure of 14-3-3 Sigma Sirtuin-3 Phospho-Peptide Complex, PDB code: 8anc 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)	45.68 / 1.11
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.6, 112.39, 62.69, 90, 90, 90
R / Rfree (%)	12.7 / 14.6

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

Magnesium binding site 1 out of 3 in the 14-3-3 Sigma Sirtuin-3 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-3 Phospho-Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:26.8 occ:1.00 O A:HOH596 1.7 53.4 1.0 O A:HOH578 2.2 54.2 1.0 OE2 A:GLU89 2.3 14.3 1.0 O A:HOH674 2.4 30.4 1.0 O A:HOH704 2.9 49.1 1.0 CD A:GLU89 3.4 10.8 1.0 O A:HOH570 3.9 29.2 1.0 CG A:GLU89 4.1 9.9 1.0 OE1 A:GLU89 4.2 10.9 1.0 NH1 A:ARG85 4.4 14.6 1.0 OE1 A:GLN93 4.5 12.1 1.0 O A:HOH701 4.6 36.8 1.0 O A:HOH548 4.6 36.2 1.0 CB A:GLU89 4.7 8.7 1.0 CG A:GLU86 4.7 12.5 1.0 NE2 A:GLN93 4.7 13.1 1.0 CG2 A:THR90 4.7 8.1 0.2 OG1 A:THR90 4.9 13.8 0.8

Magnesium binding site 2 out of 3 in the 14-3-3 Sigma Sirtuin-3 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-3 Phospho-Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:8.4 occ:0.50 O A:HOH614 2.3 21.7 1.0 O A:HOH741 2.4 46.2 1.0 OE2 A:GLU2 2.4 10.6 1.0 O A:HOH435 2.5 10.8 1.0 CD A:GLU2 3.4 8.9 1.0 OE1 A:GLU2 3.7 10.2 1.0 O A:HOH637 4.3 12.3 1.0 O A:HOH473 4.5 12.6 1.0 CG A:GLU2 4.7 7.5 1.0 CA A:GLU2 4.9 6.3 1.0 N A:ARG3 5.0 6.4 1.0

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


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 Sirtuin-3 Phospho-Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:31.5 occ:1.00 O A:HOH565 2.1 26.0 1.0 O A:HOH569 2.6 14.9 1.0 O A:HOH692 2.7 34.7 1.0 OE1 A:GLU31 2.9 19.7 1.0 NZ A:LYS27 3.0 15.7 1.0 O A:HOH676 3.6 40.4 1.0 CD A:GLU31 3.7 14.8 1.0 CG A:LYS27 3.7 8.1 1.0 CD A:LYS27 3.7 11.6 1.0 O A:HOH466 3.8 21.6 1.0 OE2 A:GLU31 3.8 18.3 1.0 CE A:LYS27 4.0 12.6 1.0 N A:SER-3 4.4 24.0 1.0 CB A:LYS27 4.5 7.0 1.0 CA A:GLY-4 4.5 41.4 1.0 N A:GLY28 4.5 6.1 1.0 CA A:GLY28 4.7 6.9 1.0 C A:LYS27 4.8 6.6 1.0 N A:MET-2 4.8 13.1 1.0 C A:GLY-4 4.8 21.1 1.0 CG A:MET-2 4.9 11.6 1.0 N A:GLY-4 4.9 48.6 1.0 O A:HOH757 4.9 38.0 1.0 CG A:GLU31 5.0 10.1 1.0

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