Magnesium in PDB 6y58: Binary Complex of 14-3-3 Sigma (C38N) with the Estrogen Related Receptor Gamma (Lbd) Phosphopeptide

The structure of Binary Complex of 14-3-3 Sigma (C38N) with the Estrogen Related Receptor Gamma (Lbd) Phosphopeptide, PDB code: 6y58 was solved by B.A.Somsen, E.Sijbesma, I.A.Leijten-Van De Gevel, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.13 / 1.90
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.297, 111.690, 62.593, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 20.9

The binding sites of Magnesium atom in the Binary Complex of 14-3-3 Sigma (C38N) with the Estrogen Related Receptor Gamma (Lbd) Phosphopeptide (pdb code 6y58). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Binary Complex of 14-3-3 Sigma (C38N) with the Estrogen Related Receptor Gamma (Lbd) Phosphopeptide, PDB code: 6y58:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Binary Complex of 14-3-3 Sigma (C38N) with the Estrogen Related Receptor Gamma (Lbd) Phosphopeptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Binary Complex of 14-3-3 Sigma (C38N) with the Estrogen Related Receptor Gamma (Lbd) Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:25.9 occ:1.00 O A:HOH444 3.4 13.3 1.0 O A:HOH666 4.1 23.9 1.0 O A:HOH541 4.4 31.4 1.0 O A:HOH662 4.5 18.2 1.0 O A:HOH603 4.6 23.8 1.0 OE2 A:GLU189 4.8 11.8 1.0 HD13 A:LEU193 5.0 11.1 1.0

Magnesium binding site 2 out of 3 in the Binary Complex of 14-3-3 Sigma (C38N) with the Estrogen Related Receptor Gamma (Lbd) Phosphopeptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Binary Complex of 14-3-3 Sigma (C38N) with the Estrogen Related Receptor Gamma (Lbd) Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:15.6 occ:1.00 O A:GLU161 2.3 17.6 1.0 O A:HOH584 2.5 31.7 1.0 O A:HOH651 2.6 34.9 1.0 O A:HOH475 2.7 24.8 1.0 C A:GLU161 3.5 17.2 1.0 HA A:MET162 3.6 22.6 1.0 HD3 A:PRO163 4.0 27.5 1.0 HB3 A:GLU161 4.1 14.2 1.0 HA A:GLU161 4.2 14.0 1.0 N A:MET162 4.4 10.9 1.0 CA A:MET162 4.4 18.8 1.0 OE2 A:GLU115 4.4 42.1 1.0 CA A:GLU161 4.4 11.7 1.0 OE1 A:GLU161 4.5 33.0 1.0 CB A:GLU161 4.8 11.8 1.0 HG3 A:MET162 4.8 19.4 1.0 CD A:PRO163 4.8 22.9 1.0 HD2 A:PRO163 4.9 27.5 1.0 HG2 A:MET162 4.9 19.4 1.0

Magnesium binding site 3 out of 3 in the Binary Complex of 14-3-3 Sigma (C38N) with the Estrogen Related Receptor Gamma (Lbd) Phosphopeptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Binary Complex of 14-3-3 Sigma (C38N) with the Estrogen Related Receptor Gamma (Lbd) Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:8.6 occ:1.00 O A:HOH561 2.3 25.7 1.0 O A:GLU110 2.3 12.9 1.0 OE2 A:GLU35 2.4 16.7 1.0 O A:HOH563 2.4 18.1 1.0 OE1 A:GLU35 2.8 22.3 1.0 CD A:GLU35 2.9 33.4 1.0 H A:GLY112 3.3 13.9 1.0 C A:GLU110 3.6 14.1 1.0 HB3 A:GLU110 3.8 18.5 1.0 N A:GLY112 3.9 11.6 1.0 HA A:ALA111 4.0 10.0 1.0 HA3 A:GLY112 4.1 22.7 1.0 HA A:GLU110 4.3 15.7 1.0 CG A:GLU35 4.4 16.2 1.0 CA A:GLU110 4.4 13.1 1.0 O A:HOH497 4.5 19.8 1.0 N A:ALA111 4.5 9.5 1.0 HG2 A:GLU35 4.5 19.4 1.0 CB A:GLU110 4.6 15.4 1.0 CA A:GLY112 4.6 18.9 1.0 CA A:ALA111 4.6 8.3 1.0 C A:ALA111 4.7 11.4 1.0 OE1 A:GLU110 4.7 28.3 1.0 HG3 A:GLU35 4.7 19.4 1.0 H A:ASP113 5.0 12.2 1.0 O A:HOH523 5.0 16.6 1.0

E.Sijbesma, B.A.Somsen, G.P.Miley, I.A.Leijten-Van De Gevel, L.Brunsveld, M.R.Arkin, C.Ottmann. Fluorescence Anisotropy-Based Tethering For Discovery of Protein-Protein Interaction Stabilizers. Acs Chem.Biol. 2020.
ISSN: ESSN 1554-8937
PubMed: 33196173
DOI: 10.1021/ACSCHEMBIO.0C00646