Calcium in PDB 6g8q: 14-3-3SIGMA in Complex with A A130BETA3A and Q133BETA3Q Mutated Yap PS127 Phosphopeptide

The structure of 14-3-3SIGMA in Complex with A A130BETA3A and Q133BETA3Q Mutated Yap PS127 Phosphopeptide, PDB code: 6g8q 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)	55.95 / 1.85
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.108, 111.900, 62.620, 90.00, 90.00, 90.00
R / Rfree (%)	14.4 / 17.5

The structure of 14-3-3SIGMA in Complex with A A130BETA3A and Q133BETA3Q Mutated Yap PS127 Phosphopeptide also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Sodium	(Na)	3 atoms

The binding sites of Calcium atom in the 14-3-3SIGMA in Complex with A A130BETA3A and Q133BETA3Q Mutated Yap PS127 Phosphopeptide (pdb code 6g8q). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the 14-3-3SIGMA in Complex with A A130BETA3A and Q133BETA3Q Mutated Yap PS127 Phosphopeptide, PDB code: 6g8q:

Calcium binding site 1 out of 1 in the 14-3-3SIGMA in Complex with A A130BETA3A and Q133BETA3Q Mutated Yap PS127 Phosphopeptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 14-3-3SIGMA in Complex with A A130BETA3A and Q133BETA3Q Mutated Yap PS127 Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:19.2 occ:0.82 O A:HOH435 2.3 31.9 1.0 O A:GLU110 2.3 18.1 1.0 OE1 A:GLU35 2.4 24.2 1.0 O A:HOH618 2.5 23.4 1.0 OE2 A:GLU35 2.6 38.2 1.0 CD A:GLU35 2.8 36.0 1.0 H A:GLY112 3.4 26.9 1.0 C A:GLU110 3.5 19.1 1.0 HB3 A:GLU110 3.8 25.6 0.4 HA A:ALA111 3.9 20.4 1.0 HB3 A:GLU110 3.9 25.4 0.6 N A:GLY112 4.0 22.4 1.0 CG A:GLU35 4.2 20.4 1.0 HA3 A:GLY112 4.3 33.5 1.0 HA A:GLU110 4.3 17.8 0.6 HA A:GLU110 4.3 17.9 0.4 HG2 A:GLU35 4.4 24.5 1.0 CA A:GLU110 4.4 14.9 0.4 CA A:GLU110 4.4 14.8 0.6 N A:ALA111 4.4 13.3 1.0 OE1 A:GLU110 4.4 21.1 0.4 CA A:ALA111 4.5 17.0 1.0 O A:HOH605 4.5 36.2 1.0 CB A:GLU110 4.6 21.3 0.4 CB A:GLU110 4.6 21.2 0.6 C A:ALA111 4.6 18.4 1.0 HG3 A:GLU35 4.6 24.5 1.0 O A:HOH631 4.7 41.2 1.0 CA A:GLY112 4.7 27.9 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