Magnesium in PDB 8c42: Ternary Structure of 14-3-3SIGMA, Pka-Responsive Era Phosphopeptide and Fusicoccin-A

The structure of Ternary Structure of 14-3-3SIGMA, Pka-Responsive Era Phosphopeptide and Fusicoccin-A, PDB code: 8c42 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)	45.41 / 1.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.726, 111.773, 62.592, 90, 90, 90
R / Rfree (%)	18 / 19.6

The binding sites of Magnesium atom in the Ternary Structure of 14-3-3SIGMA, Pka-Responsive Era Phosphopeptide and Fusicoccin-A (pdb code 8c42). 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, Pka-Responsive Era Phosphopeptide and Fusicoccin-A, PDB code: 8c42:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Ternary Structure of 14-3-3SIGMA, 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, Pka-Responsive Era Phosphopeptide and Fusicoccin-A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:14.4 occ:0.49 O A:HOH565 2.3 29.3 1.0 OE1 A:GLU2 2.5 19.2 1.0 O A:HOH418 2.7 19.7 1.0 CD A:GLU2 3.5 20.9 1.0 OE2 A:GLU2 3.9 18.4 1.0 O A:HOH567 4.4 19.1 1.0 O A:HOH649 4.6 19.9 1.0 CG A:GLU2 4.8 15.3 1.0 CA A:GLU2 4.9 12.5 1.0 N A:ARG3 5.0 13.0 1.0

Magnesium binding site 2 out of 3 in the Ternary Structure of 14-3-3SIGMA, 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, Pka-Responsive Era Phosphopeptide and Fusicoccin-A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:25.6 occ:1.00 O A:HOH437 2.0 28.8 1.0 O A:HOH613 2.1 33.8 1.0 O A:HOH562 2.2 34.9 1.0 OE2 A:GLU89 2.4 19.7 1.0 O A:HOH598 2.5 33.6 1.0 CD A:GLU89 3.5 14.7 1.0 O A:HOH477 4.0 33.5 1.0 CG A:GLU89 4.1 15.1 1.0 O A:HOH579 4.3 32.4 1.0 OE1 A:GLU89 4.3 16.0 1.0 OE1 A:GLN93 4.4 17.6 1.0 NH1 A:ARG85 4.5 20.1 1.0 O A:HOH601 4.5 38.2 1.0 CG A:GLU86 4.7 17.2 1.0 NE2 A:GLN93 4.7 17.9 1.0 OG1 A:THR90 4.8 20.7 1.0 CB A:GLU89 4.8 12.9 1.0 CD A:GLN93 5.0 15.9 1.0

Magnesium binding site 3 out of 3 in the Ternary Structure of 14-3-3SIGMA, 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, Pka-Responsive Era Phosphopeptide and Fusicoccin-A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:20.0 occ:1.00 O A:HOH512 2.3 28.9 1.0 OE1 A:GLU188 2.4 26.3 1.0 CD A:GLU188 3.4 22.4 1.0 CG A:GLU188 3.8 19.3 1.0 OE2 A:GLU188 4.4 21.1 1.0 O A:HOH632 4.5 35.0 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