Calcium in PDB 6y3v: 14-3-3 Sigma in Complex with Phosphorylated C-Jun Peptide

The structure of 14-3-3 Sigma in Complex with Phosphorylated C-Jun Peptide, PDB code: 6y3v was solved by A.Ballone, R.A.Lau, F.P.A.Zweipfenning, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.53 / 1.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.683, 112.054, 62.578, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 22.1

The structure of 14-3-3 Sigma in Complex with Phosphorylated C-Jun Peptide also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Calcium atom in the 14-3-3 Sigma in Complex with Phosphorylated C-Jun Peptide (pdb code 6y3v). 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 Phosphorylated C-Jun Peptide, PDB code: 6y3v:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the 14-3-3 Sigma in Complex with Phosphorylated C-Jun 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 Phosphorylated C-Jun Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:31.1 occ:0.94 OE1 A:GLU75 2.5 39.4 1.0 O A:HOH476 2.5 26.8 1.0 CD A:GLU75 3.7 42.8 1.0 O A:GLY73 4.5 46.6 1.0 OE2 A:GLU75 4.5 47.1 1.0 CG A:GLU75 4.6 42.1 1.0 CB A:GLU75 4.7 39.5 1.0

Calcium binding site 2 out of 2 in the 14-3-3 Sigma in Complex with Phosphorylated C-Jun 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 Phosphorylated C-Jun Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca304 b:24.2 occ:0.50 OE1 A:GLU2 2.5 12.7 1.0 O A:HOH468 2.6 12.3 1.0 O A:HOH658 2.6 35.0 1.0 O A:HOH790 2.6 37.6 1.0 O A:HOH698 2.7 35.6 1.0 CD A:GLU2 3.5 14.7 1.0 OE2 A:GLU2 3.9 12.9 1.0 O A:HOH620 4.3 13.7 1.0 O A:HOH801 4.5 13.8 1.0 CG A:GLU2 4.7 9.8 1.0 CA A:GLU2 4.9 7.8 1.0 N A:ARG3 5.0 9.1 1.0 O A:HOH444 5.0 23.0 1.0

A.Ballone, R.A.Lau, F.P.A.Zweipfenning, C.Ottmann. A New Soaking Procedure For X-Ray Crystallographic Structural Determination of Protein-Peptide Complexes. Acta Crystallogr.,Sect.F V. 76 501 2020.
ISSN: ESSN 2053-230X
PubMed: 33006579
DOI: 10.1107/S2053230X2001122X