Calcium in PDB 6g8p: 14-3-3SIGMA in Complex with A P129BETA3P and L132BETA3L Mutated Yap PS127 Phosphopeptide

The structure of 14-3-3SIGMA in Complex with A P129BETA3P and L132BETA3L Mutated Yap PS127 Phosphopeptide, PDB code: 6g8p 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)	41.59 / 1.90
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.037, 111.499, 62.460, 90.00, 90.00, 90.00
R / Rfree (%)	13.3 / 15.9

The structure of 14-3-3SIGMA in Complex with A P129BETA3P and L132BETA3L Mutated Yap PS127 Phosphopeptide also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the 14-3-3SIGMA in Complex with A P129BETA3P and L132BETA3L Mutated Yap PS127 Phosphopeptide (pdb code 6g8p). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the 14-3-3SIGMA in Complex with A P129BETA3P and L132BETA3L Mutated Yap PS127 Phosphopeptide, PDB code: 6g8p:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the 14-3-3SIGMA in Complex with A P129BETA3P and L132BETA3L 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 P129BETA3P and L132BETA3L Mutated Yap PS127 Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:16.6 occ:0.84 O A:HOH534 2.4 27.6 1.0 OE2 A:GLU188 2.4 21.1 1.0 HG2 A:GLU188 3.3 23.9 1.0 CD A:GLU188 3.4 26.4 1.0 CG A:GLU188 3.8 19.9 1.0 HG3 A:GLU188 4.3 23.9 1.0 O A:HOH711 4.5 42.4 1.0 OE1 A:GLU188 4.5 24.6 1.0

Calcium binding site 2 out of 2 in the 14-3-3SIGMA in Complex with A P129BETA3P and L132BETA3L Mutated Yap PS127 Phosphopeptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of 14-3-3SIGMA in Complex with A P129BETA3P and L132BETA3L Mutated Yap PS127 Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:16.0 occ:0.49 O A:HOH466 2.6 14.1 1.0 OE1 A:GLU2 2.8 16.4 1.0 O A:HOH687 2.8 55.8 1.0 O A:HOH640 2.9 33.7 1.0 O A:HOH654 3.0 33.4 1.0 CD A:GLU2 3.7 17.6 1.0 OE2 A:GLU2 4.1 17.9 1.0 HA A:GLU2 4.1 15.4 1.0 H A:ARG3 4.3 15.4 1.0 O A:HOH568 4.4 18.4 1.0 O A:HOH591 4.7 14.3 1.0 O A:HOH407 4.7 38.2 1.0 CG A:GLU2 4.9 10.1 1.0 HB3 A:GLU2 5.0 11.3 1.0 CA A:GLU2 5.0 12.9 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