Magnesium in PDB 6g8i: 14-3-3SIGMA in Complex with A R124BETA3R Mutated Yap PS127 Phosphopeptide

The structure of 14-3-3SIGMA in Complex with A R124BETA3R Mutated Yap PS127 Phosphopeptide, PDB code: 6g8i was solved by S.A.Andrei, V.Thijssen, L.Brunsveld, C.Ottmann, L.G.Milroy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.09 / 1.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.118, 112.170, 62.550, 90.00, 90.00, 90.00
R / Rfree (%)	15 / 17.3

The structure of 14-3-3SIGMA in Complex with A R124BETA3R Mutated Yap PS127 Phosphopeptide also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Sodium	(Na)	2 atoms

The binding sites of Magnesium atom in the 14-3-3SIGMA in Complex with A R124BETA3R Mutated Yap PS127 Phosphopeptide (pdb code 6g8i). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the 14-3-3SIGMA in Complex with A R124BETA3R Mutated Yap PS127 Phosphopeptide, PDB code: 6g8i:

Magnesium binding site 1 out of 1 in the 14-3-3SIGMA in Complex with A R124BETA3R Mutated Yap PS127 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 in Complex with A R124BETA3R Mutated Yap PS127 Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:21.1 occ:1.00 O A:GLU161 2.3 21.0 1.0 O A:HOH619 2.4 38.0 1.0 O A:HOH456 2.5 32.9 1.0 C A:GLU161 3.5 14.6 1.0 HA A:MET162 3.5 13.6 0.4 HA A:MET162 3.6 13.8 0.6 HD3 A:PRO163 4.1 20.6 1.0 HB3 A:GLU161 4.1 18.0 1.0 HA A:GLU161 4.2 15.4 1.0 CA A:MET162 4.3 11.3 0.4 N A:MET162 4.3 13.6 1.0 HG3 A:MET162 4.4 26.1 0.4 CA A:MET162 4.4 11.5 0.6 CA A:GLU161 4.4 12.8 1.0 OE2 A:GLU115 4.5 47.5 1.0 CB A:GLU161 4.8 15.0 1.0 OE1 A:GLU161 4.8 49.8 1.0 HG2 A:MET162 4.8 26.1 0.4 CD A:PRO163 4.9 17.2 1.0 HG2 A:MET162 4.9 16.4 0.6 CG A:MET162 5.0 21.8 0.4

S.A.Andrei, V.Thijssen, L.Brunsveld, C.Ottmann, L.G.Milroy. A Study on the Effect of Synthetic Alpha-to-BETA3-Amino Acid Mutations on the Binding of Phosphopeptides to 14-3-3 Proteins. Chem.Commun.(Camb.) 2019.
ISSN: ESSN 1364-548X
PubMed: 31763628
DOI: 10.1039/C9CC07982C