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Magnesium in PDB 8vsn: Ternary Structure of 14-3-3 Sigma, Araf Phosphopeptide (PS214) and Compound 79 (1124379)

Enzymatic activity of Ternary Structure of 14-3-3 Sigma, Araf Phosphopeptide (PS214) and Compound 79 (1124379)

All present enzymatic activity of Ternary Structure of 14-3-3 Sigma, Araf Phosphopeptide (PS214) and Compound 79 (1124379):
2.7.11.1;

Protein crystallography data

The structure of Ternary Structure of 14-3-3 Sigma, Araf Phosphopeptide (PS214) and Compound 79 (1124379), PDB code: 8vsn was solved by H.R.Vickery, J.M.Virta, M.Pennings, M.Konstantinidou, M.Van Den Oetelaar, R.J.Neitz, C.Ottmann, L.Brunsveld, M.R.Arkin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 57.76 / 1.91
Space group C 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 62.576, 150.225, 76.816, 90, 90, 90
R / Rfree (%) 24 / 27.2

Other elements in 8vsn:

The structure of Ternary Structure of 14-3-3 Sigma, Araf Phosphopeptide (PS214) and Compound 79 (1124379) also contains other interesting chemical elements:

Iodine (I) 1 atom
Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Ternary Structure of 14-3-3 Sigma, Araf Phosphopeptide (PS214) and Compound 79 (1124379) (pdb code 8vsn). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Ternary Structure of 14-3-3 Sigma, Araf Phosphopeptide (PS214) and Compound 79 (1124379), PDB code: 8vsn:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 8vsn

Go back to Magnesium Binding Sites List in 8vsn
Magnesium binding site 1 out of 3 in the Ternary Structure of 14-3-3 Sigma, Araf Phosphopeptide (PS214) and Compound 79 (1124379)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ternary Structure of 14-3-3 Sigma, Araf Phosphopeptide (PS214) and Compound 79 (1124379) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg302

b:62.8
occ:1.00
 OE2 A:GLU89 2.5 45.3 1.0
CD A:GLU89 3.6 45.9 1.0
OE1 A:GLU89 4.3 46.1 1.0
NH1 A:ARG85 4.3 41.5 1.0
CG A:GLU89 4.5 41.2 1.0
O A:HOH429 4.7 45.1 1.0
NE2 A:GLN93 5.0 42.0 1.0

Magnesium binding site 2 out of 3 in 8vsn

Go back to Magnesium Binding Sites List in 8vsn
Magnesium binding site 2 out of 3 in the Ternary Structure of 14-3-3 Sigma, Araf Phosphopeptide (PS214) and Compound 79 (1124379)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Ternary Structure of 14-3-3 Sigma, Araf Phosphopeptide (PS214) and Compound 79 (1124379) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg303

b:67.0
occ:1.00
 O A:HOH490 2.8 31.7 1.0
CG A:GLU2 3.3 45.5 1.0
CB A:GLU2 3.9 37.5 1.0
N A:ARG3 3.9 29.6 1.0
CA A:GLU2 4.0 31.6 1.0
O A:HOH512 4.1 46.3 1.0
CD A:GLU2 4.1 48.1 1.0
O A:HOH495 4.3 47.0 1.0
OE2 A:GLU2 4.4 44.7 1.0
O A:HOH466 4.4 37.5 1.0
C A:GLU2 4.5 31.0 1.0
O A:HOH524 4.5 48.0 1.0
CB A:ARG3 4.6 34.9 1.0
OE1 A:GLU2 4.9 57.3 1.0
CA A:ARG3 4.9 33.9 1.0

Magnesium binding site 3 out of 3 in 8vsn

Go back to Magnesium Binding Sites List in 8vsn
Magnesium binding site 3 out of 3 in the Ternary Structure of 14-3-3 Sigma, Araf Phosphopeptide (PS214) and Compound 79 (1124379)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Ternary Structure of 14-3-3 Sigma, Araf Phosphopeptide (PS214) and Compound 79 (1124379) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg304

b:77.6
occ:1.00
 OE1 A:GLU188 2.9 74.4 1.0
CD1 A:ILE191 3.6 56.8 1.0
CD A:GLU188 4.1 80.5 1.0
CG1 A:ILE191 4.9 54.6 1.0
OE2 A:GLU188 4.9 89.5 1.0
CG2 A:ILE191 4.9 54.6 1.0

Reference:

H.R.Vickery, J.M.Virta, M.Pennings, M.Konstantinidou, M.Van Den Oetelaar, R.J.Neitz, C.Ottmann, L.Brunsveld, M.R.Arkin. Ternary Structure of 14-3-3 Sigma, Araf Phosphopeptide (PS214) and Compound 79 (1124379) To Be Published.
Page generated: Fri Aug 15 17:47:53 2025

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