Sodium 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:

Magnesium	(Mg)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Sodium 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 Sodium atom.
In total 2 binding sites of Sodium where determined in the 14-3-3SIGMA in Complex with A R124BETA3R Mutated Yap PS127 Phosphopeptide, PDB code: 6g8i:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the 14-3-3SIGMA in Complex with A R124BETA3R Mutated Yap PS127 Phosphopeptide


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na 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:Na303 b:31.5 occ:0.97 O A:LYS77 2.3 50.5 1.0 OE1 A:GLU80 2.3 15.3 1.0 O A:HOH598 2.4 39.4 1.0 CD A:GLU80 2.8 24.5 1.0 OE2 A:GLU80 2.8 21.7 1.0 O A:HOH491 2.8 28.3 1.0 HA3 A:GLY78 3.2 26.0 1.0 C A:LYS77 3.4 56.1 1.0 CA A:GLY78 4.0 21.7 1.0 HD2 A:PRO79 4.1 22.1 1.0 CG A:GLU80 4.1 17.9 1.0 N A:GLY78 4.2 31.7 1.0 HG2 A:GLU80 4.2 21.5 1.0 HB3 A:LYS77 4.3 65.3 1.0 HB2 A:GLU80 4.3 15.5 1.0 HA A:LYS77 4.3 39.0 1.0 H A:GLU80 4.4 15.2 1.0 CA A:LYS77 4.5 32.5 1.0 C A:GLY78 4.7 16.8 1.0 HA2 A:GLY78 4.7 26.0 1.0 CB A:GLU80 4.8 12.9 1.0 HG3 A:GLU80 4.8 21.5 1.0 CB A:LYS77 4.9 54.4 1.0 CD A:PRO79 4.9 18.4 1.0

Sodium binding site 2 out of 2 in the 14-3-3SIGMA in Complex with A R124BETA3R Mutated Yap PS127 Phosphopeptide


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 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:Na304 b:36.8 occ:0.75 O A:HOH528 2.1 20.7 1.0 O A:HOH706 3.1 28.7 1.0 HG3 A:GLU2 3.4 17.7 1.0 O A:HOH442 3.6 29.6 1.0 O A:HOH657 3.9 45.2 1.0 CG A:GLU2 4.3 14.8 1.0 HG A:SER5 4.4 17.1 1.0 OG A:SER5 4.5 14.3 1.0 HB2 A:GLU2 4.6 16.2 1.0 OE2 A:GLU2 4.6 19.8 1.0 HB3 A:GLU2 4.7 16.2 1.0 CD A:GLU2 4.7 21.0 1.0 HB3 A:ALA4 4.8 15.0 1.0 CB A:GLU2 4.8 13.5 1.0 HG2 A:GLU2 5.0 17.7 1.0

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