Magnesium in PDB 7org: Ternary Complex of 14-3-3 Sigma, P27PT198 Phosphopeptide, and WQ162

The structure of Ternary Complex of 14-3-3 Sigma, P27PT198 Phosphopeptide, and WQ162, PDB code: 7org was solved by F.Centorrino, Q.Wu, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.07 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.607, 110.882, 61.152, 90, 90, 90
R / Rfree (%)	16 / 20.2

The structure of Ternary Complex of 14-3-3 Sigma, P27PT198 Phosphopeptide, and WQ162 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Ternary Complex of 14-3-3 Sigma, P27PT198 Phosphopeptide, and WQ162 (pdb code 7org). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Ternary Complex of 14-3-3 Sigma, P27PT198 Phosphopeptide, and WQ162, PDB code: 7org:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Ternary Complex of 14-3-3 Sigma, P27PT198 Phosphopeptide, and WQ162


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ternary Complex of 14-3-3 Sigma, P27PT198 Phosphopeptide, and WQ162 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:4.7 occ:0.57 O A:HOH679 2.6 37.2 1.0 O A:HOH467 2.6 10.2 1.0 OE1 A:GLU2 2.7 15.3 1.0 O A:HOH605 2.9 33.3 1.0 CD A:GLU2 3.7 18.1 1.0 OE2 A:GLU2 4.0 14.4 1.0 HA A:GLU2 4.1 9.3 1.0 H A:ARG3 4.3 9.3 1.0 O A:HOH681 4.4 14.4 1.0 O A:HOH564 4.7 11.2 1.0 CG A:GLU2 4.9 11.7 1.0 HB3 A:GLU2 5.0 13.2 1.0

Magnesium binding site 2 out of 2 in the Ternary Complex of 14-3-3 Sigma, P27PT198 Phosphopeptide, and WQ162


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Ternary Complex of 14-3-3 Sigma, P27PT198 Phosphopeptide, and WQ162 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:18.2 occ:1.00 O A:HOH600 2.1 37.9 1.0 O A:HOH511 2.2 33.6 1.0 O A:HOH418 2.3 20.1 1.0 OE2 A:GLU89 2.3 12.1 1.0 CD A:GLU89 3.4 9.7 1.0 HG2 A:GLU86 3.7 14.4 1.0 HG2 A:GLU89 3.7 11.5 1.0 HH12 A:ARG85 3.8 20.0 1.0 HE22 A:GLN93 4.0 12.9 1.0 O A:HOH521 4.0 28.9 1.0 CG A:GLU89 4.1 9.6 1.0 HH11 A:ARG85 4.2 20.0 1.0 HB3 A:GLU89 4.2 10.8 1.0 OE1 A:GLU89 4.3 9.5 1.0 O A:HOH531 4.3 28.4 1.0 NH1 A:ARG85 4.4 16.7 1.0 HA A:GLU86 4.4 10.4 1.0 OE1 A:GLN93 4.5 12.4 1.0 HG1 A:THR90 4.5 16.1 1.0 O A:HOH615 4.6 33.2 1.0 CG A:GLU86 4.6 12.0 1.0 NE2 A:GLN93 4.6 10.8 1.0 HB3 A:GLU86 4.7 10.3 1.0 CB A:GLU89 4.8 9.0 1.0 O A:HOH403 4.9 30.8 1.0 OG1 A:THR90 4.9 13.4 1.0 HG3 A:GLU89 4.9 11.5 1.0 CD A:GLN93 5.0 13.4 1.0

F.Centorrino, Q.Wu, P.Cossar, L.Brunsveld, C.Ottmann. A Crystallography-Based Study of Fragment Extensions Into the 14-3-3 Binding Groove To Be Published.