Magnesium in PDB 8c3z: 14-3-3SIGMA Bound to Strep-Tagged Pka-Responsive Era Phosphopeptide

The structure of 14-3-3SIGMA Bound to Strep-Tagged Pka-Responsive Era Phosphopeptide, PDB code: 8c3z 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)	45.47 / 1.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.241, 112.415, 62.429, 90, 90, 90
R / Rfree (%)	17.5 / 18.6

The binding sites of Magnesium atom in the 14-3-3SIGMA Bound to Strep-Tagged Pka-Responsive Era Phosphopeptide (pdb code 8c3z). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the 14-3-3SIGMA Bound to Strep-Tagged Pka-Responsive Era Phosphopeptide, PDB code: 8c3z:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the 14-3-3SIGMA Bound to Strep-Tagged Pka-Responsive Era Phosphopeptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 14-3-3SIGMA Bound to Strep-Tagged Pka-Responsive Era Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:14.2 occ:0.50 O A:HOH581 2.2 32.1 1.0 OE1 A:GLU2 2.4 17.3 1.0 O A:HOH421 2.6 16.6 1.0 CD A:GLU2 3.4 17.1 1.0 OE2 A:GLU2 3.8 16.2 1.0 O A:HOH575 4.4 16.8 1.0 O A:HOH675 4.5 18.6 1.0 CG A:GLU2 4.7 14.8 1.0 CA A:GLU2 4.9 11.5 1.0 N A:ARG3 5.0 11.7 1.0 CB A:GLU2 5.0 12.6 1.0

Magnesium binding site 2 out of 4 in the 14-3-3SIGMA Bound to Strep-Tagged Pka-Responsive Era Phosphopeptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 14-3-3SIGMA Bound to Strep-Tagged Pka-Responsive Era Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:25.5 occ:1.00 O A:HOH406 2.0 35.6 1.0 O A:HOH431 2.1 28.7 1.0 O A:HOH631 2.2 34.9 1.0 OE2 A:GLU89 2.4 19.2 1.0 CD A:GLU89 3.5 14.0 1.0 O A:HOH504 4.1 30.9 1.0 CG A:GLU89 4.2 12.6 1.0 OE1 A:GLU89 4.3 13.9 1.0 O A:HOH527 4.5 30.8 1.0 NH1 A:ARG85 4.5 18.9 1.0 OE1 A:GLN93 4.5 15.9 1.0 CG A:GLU86 4.6 15.6 1.0 O A:HOH617 4.7 33.5 1.0 NE2 A:GLN93 4.8 15.4 1.0 CB A:GLU89 4.8 12.5 1.0 OG1 A:THR90 4.9 21.3 1.0

Magnesium binding site 3 out of 4 in the 14-3-3SIGMA Bound to Strep-Tagged Pka-Responsive Era Phosphopeptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of 14-3-3SIGMA Bound to Strep-Tagged Pka-Responsive Era Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:20.1 occ:1.00 O A:GLU110 2.3 17.0 0.6 O A:GLU110 2.3 17.0 0.4 O A:HOH553 2.3 24.9 1.0 OE2 A:GLU35 2.3 18.9 1.0 O A:HOH588 2.3 22.6 1.0 OE1 A:GLU35 2.7 26.9 1.0 CD A:GLU35 2.9 24.9 1.0 C A:GLU110 3.5 15.2 0.6 C A:GLU110 3.5 15.2 0.4 N A:GLY112 4.1 17.2 1.0 O A:HOH627 4.1 34.4 1.0 CG A:GLU35 4.4 17.9 1.0 CA A:GLU110 4.4 14.8 0.6 CA A:GLU110 4.4 14.9 0.4 N A:ALA111 4.5 14.3 1.0 O A:HOH444 4.5 25.8 1.0 CB A:GLU110 4.5 17.3 0.4 CB A:GLU110 4.5 17.3 0.6 CA A:ALA111 4.5 15.8 1.0 OE1 A:GLU110 4.6 27.4 0.6 C A:ALA111 4.7 16.2 1.0 CA A:GLY112 4.8 17.9 1.0

Magnesium binding site 4 out of 4 in the 14-3-3SIGMA Bound to Strep-Tagged Pka-Responsive Era Phosphopeptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of 14-3-3SIGMA Bound to Strep-Tagged Pka-Responsive Era Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:25.0 occ:1.00 O A:GLU161 2.3 20.0 1.0 O A:HOH601 2.4 36.2 1.0 O A:HOH597 2.6 30.6 1.0 C A:GLU161 3.5 17.1 1.0 CA A:GLU161 4.4 15.0 1.0 N A:MET162 4.4 15.1 1.0 CA A:MET162 4.4 15.8 1.0 CB A:GLU161 4.7 17.3 1.0 OE1 A:GLU161 4.7 33.5 1.0 CD A:PRO163 5.0 18.6 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