Magnesium in PDB 8c43: Ternary Structure of 14-3-3SIGMA, Strep-Tagged Pka-Responsive Era Phosphopeptide, and Fusicoccin-A.

The structure of Ternary Structure of 14-3-3SIGMA, Strep-Tagged Pka-Responsive Era Phosphopeptide, and Fusicoccin-A., PDB code: 8c43 was solved by B.A.Somsen, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.34 / 1.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.788, 112.035, 62.339, 90, 90, 90
R / Rfree (%)	17.9 / 19.2

The binding sites of Magnesium atom in the Ternary Structure of 14-3-3SIGMA, Strep-Tagged Pka-Responsive Era Phosphopeptide, and Fusicoccin-A. (pdb code 8c43). 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 14-3-3SIGMA, Strep-Tagged Pka-Responsive Era Phosphopeptide, and Fusicoccin-A., PDB code: 8c43:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Ternary Structure of 14-3-3SIGMA, Strep-Tagged Pka-Responsive Era Phosphopeptide, and Fusicoccin-A.


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 14-3-3SIGMA, Strep-Tagged Pka-Responsive Era Phosphopeptide, and Fusicoccin-A. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:13.9 occ:0.52 O A:HOH554 2.1 30.5 1.0 OE1 A:GLU2 2.3 19.0 1.0 O A:HOH429 2.5 18.6 1.0 CD A:GLU2 3.2 20.3 1.0 OE2 A:GLU2 3.6 18.1 1.0 O A:HOH557 4.2 18.7 1.0 O A:HOH635 4.3 19.9 1.0 CG A:GLU2 4.6 14.4 1.0 O A:HOH433 4.7 29.6 1.0 CA A:GLU2 4.8 11.9 1.0 CB A:GLU2 4.9 13.9 1.0 N A:ARG3 5.0 13.2 1.0

Magnesium binding site 2 out of 3 in the Ternary Structure of 14-3-3SIGMA, Strep-Tagged Pka-Responsive Era Phosphopeptide, and Fusicoccin-A.


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 14-3-3SIGMA, Strep-Tagged Pka-Responsive Era Phosphopeptide, and Fusicoccin-A. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:25.5 occ:1.00 O A:HOH449 2.0 29.0 1.0 O A:HOH606 2.1 37.1 1.0 OE2 A:GLU89 2.3 19.4 1.0 O A:HOH585 2.5 33.9 1.0 CD A:GLU89 3.4 13.6 1.0 O A:HOH442 4.0 36.5 1.0 CG A:GLU89 4.0 13.4 1.0 OE1 A:GLU89 4.3 16.3 1.0 OE1 A:GLN93 4.4 18.4 1.0 O A:HOH570 4.4 33.4 1.0 CG A:GLU86 4.5 20.0 1.0 NH1 A:ARG85 4.5 19.4 1.0 O A:HOH595 4.6 34.6 1.0 CB A:GLU89 4.7 14.5 1.0 NE2 A:GLN93 4.7 17.7 1.0 OG1 A:THR90 4.8 22.2 1.0 CD A:GLN93 5.0 17.8 1.0

Magnesium binding site 3 out of 3 in the Ternary Structure of 14-3-3SIGMA, Strep-Tagged Pka-Responsive Era Phosphopeptide, and Fusicoccin-A.


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 14-3-3SIGMA, Strep-Tagged Pka-Responsive Era Phosphopeptide, and Fusicoccin-A. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:17.3 occ:1.00 O A:HOH494 2.3 30.2 1.0 OE2 A:GLU188 2.4 25.3 1.0 CD A:GLU188 3.4 22.0 1.0 CG A:GLU188 3.8 18.8 1.0 OE1 A:GLU188 4.4 24.9 1.0 O A:HOH623 4.6 34.5 1.0

B.A.Somsen, E.Sijbesma, S.Leysen, K.Honzejkova, E.J.Visser, P.J.Cossar, T.Obsil, L.Brunsveld, C.Ottmann. Molecular Basis and Dual Ligand Regulation of Tetrameric Estrogen Receptor Alpha /14-3-3 Zeta Protein Complex. J.Biol.Chem. V. 299 04855 2023.
ISSN: ESSN 1083-351X
PubMed: 37224961
DOI: 10.1016/J.JBC.2023.104855