Calcium in PDB 6y1j: 14-3-3 Sigma in Complex with Ikappabalpha PS63 Peptide

The structure of 14-3-3 Sigma in Complex with Ikappabalpha PS63 Peptide, PDB code: 6y1j was solved by M.Wolter, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.49 / 1.13
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.460, 111.820, 62.480, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 18.3

The structure of 14-3-3 Sigma in Complex with Ikappabalpha PS63 Peptide also contains other interesting chemical elements:

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

The binding sites of Calcium atom in the 14-3-3 Sigma in Complex with Ikappabalpha PS63 Peptide (pdb code 6y1j). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the 14-3-3 Sigma in Complex with Ikappabalpha PS63 Peptide, PDB code: 6y1j:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the 14-3-3 Sigma in Complex with Ikappabalpha PS63 Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 14-3-3 Sigma in Complex with Ikappabalpha PS63 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:9.7 occ:0.87 O A:GLU110 2.3 9.0 0.5 O A:GLU110 2.3 11.0 0.5 O A:HOH602 2.3 15.9 1.0 O A:HOH638 2.4 13.7 1.0 OE2 A:GLU35 2.4 11.2 1.0 OE1 A:GLU35 2.6 13.4 1.0 CD A:GLU35 2.9 10.9 1.0 H A:GLY112 3.5 11.5 1.0 C A:GLU110 3.5 8.3 0.5 C A:GLU110 3.5 9.7 0.5 HB3 A:GLU110 3.6 12.7 0.5 HA A:ALA111 3.9 11.5 1.0 HB3 A:GLU110 3.9 11.3 0.5 N A:GLY112 4.1 9.6 1.0 O A:HOH646 4.2 21.4 1.0 HA A:GLU110 4.3 10.8 0.5 HA A:GLU110 4.3 11.6 0.5 CG A:GLU35 4.3 10.1 1.0 CA A:GLU110 4.4 9.7 0.5 CB A:GLU110 4.4 10.6 0.5 CA A:GLU110 4.4 9.0 0.5 N A:ALA111 4.4 9.2 1.0 HA3 A:GLY112 4.5 13.8 1.0 CA A:ALA111 4.5 9.6 1.0 O A:HOH497 4.5 17.8 1.0 HG2 A:GLU35 4.6 12.1 1.0 CB A:GLU110 4.6 9.4 0.5 OE1 A:GLU110 4.7 14.1 0.5 HG3 A:GLU35 4.7 12.1 1.0 C A:ALA111 4.7 9.3 1.0 O A:HOH538 4.8 14.8 1.0 HB2 A:GLU110 4.8 12.7 0.5 CA A:GLY112 4.9 11.5 1.0

Calcium binding site 2 out of 2 in the 14-3-3 Sigma in Complex with Ikappabalpha PS63 Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of 14-3-3 Sigma in Complex with Ikappabalpha PS63 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca311 b:55.6 occ:1.00 O A:HOH587 2.3 23.8 1.0 H A:GLU20 2.4 9.4 0.5 H A:GLU20 2.4 9.1 0.5 HG3 A:GLU20 2.7 16.0 0.5 H A:TYR19 3.0 8.4 1.0 O A:HOH624 3.0 10.8 1.0 HB2 A:GLU20 3.1 10.6 0.5 HB3 A:GLU20 3.2 12.7 0.5 N A:GLU20 3.2 7.9 0.5 N A:GLU20 3.2 7.6 0.5 HB2 A:GLU20 3.3 12.7 0.5 N A:TYR19 3.4 7.0 1.0 HA A:ARG18 3.5 10.2 1.0 CG A:GLU20 3.5 13.3 0.5 CB A:GLU20 3.6 10.6 0.5 CB A:GLU20 3.7 8.8 0.5 HB2 A:TYR19 3.9 10.0 1.0 C A:ARG18 4.0 7.7 1.0 CA A:GLU20 4.1 7.8 0.5 CA A:GLU20 4.1 6.7 0.5 C A:TYR19 4.2 6.7 1.0 CA A:TYR19 4.2 7.9 1.0 CA A:ARG18 4.2 8.5 1.0 CD A:GLU20 4.2 19.6 0.5 HG2 A:GLU20 4.3 16.0 0.5 H A:ASP21 4.4 7.9 1.0 OE2 A:GLU20 4.4 23.1 0.5 HD2 A:ARG18 4.4 13.4 1.0 O A:GLU17 4.5 13.7 1.0 OE1 A:GLU20 4.5 22.2 0.5 O A:HOH645 4.5 29.0 1.0 CB A:TYR19 4.6 8.3 1.0 HB3 A:GLU20 4.6 10.6 0.5 HA A:GLU20 4.7 9.3 0.5 HA A:GLU20 4.7 8.1 0.5 HD2 A:TYR19 4.7 13.9 1.0 O A:HOH487 4.8 26.6 1.0 O A:ARG18 4.9 7.1 1.0 HG22 A:VAL51 4.9 8.3 1.0 HB3 A:ARG18 4.9 10.2 1.0 CG A:GLU20 5.0 15.4 0.5

M.Wolter, C.Ottmann. Interaction of An Ikappabalpha Peptide with 14-3-3 Acs Omega 2020.
ISSN: ESSN 2470-1343
DOI: 10.1021/ACSOMEGA.9B04413