Calcium in PDB 7aog: 14-3-3 Sigma in Complex with PIN1 Binding Site PS72

All present enzymatic activity of 14-3-3 Sigma in Complex with PIN1 Binding Site PS72:
5.2.1.8;

The structure of 14-3-3 Sigma in Complex with PIN1 Binding Site PS72, PDB code: 7aog was solved by M.Wolter, L.V.Dijck, P.J.Cossar, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.03 / 1.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.426, 112.058, 62.649, 90, 90, 90
R / Rfree (%)	16.5 / 18.4

The structure of 14-3-3 Sigma in Complex with PIN1 Binding Site PS72 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Calcium atom in the 14-3-3 Sigma in Complex with PIN1 Binding Site PS72 (pdb code 7aog). 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 PIN1 Binding Site PS72, PDB code: 7aog:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the 14-3-3 Sigma in Complex with PIN1 Binding Site PS72


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 PIN1 Binding Site PS72 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:24.2 occ:1.00 OE2 A:GLU188 2.4 24.2 1.0 O A:HOH532 2.4 29.7 1.0 HG2 A:GLU188 3.2 23.3 1.0 CD A:GLU188 3.4 22.2 1.0 CG A:GLU188 3.8 19.4 1.0 HG3 A:GLU188 4.2 23.3 1.0 OE1 A:GLU188 4.5 24.3 1.0 O A:HOH652 4.5 38.4 1.0 HB3 A:GLU188 5.0 20.4 1.0

Calcium binding site 2 out of 2 in the 14-3-3 Sigma in Complex with PIN1 Binding Site PS72


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 PIN1 Binding Site PS72 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca304 b:25.6 occ:0.50 O A:HOH602 2.3 37.9 1.0 OE1 A:GLU2 2.5 22.6 1.0 O A:HOH447 2.5 20.9 1.0 CD A:GLU2 3.5 22.4 1.0 OE2 A:GLU2 3.8 21.4 1.0 HA A:GLU2 4.0 19.9 1.0 H A:ARG3 4.2 18.6 1.0 O A:HOH589 4.3 21.7 1.0 O A:HOH668 4.5 21.6 1.0 HB3 A:GLU2 4.7 21.3 1.0 CG A:GLU2 4.7 18.8 1.0 CA A:GLU2 4.9 16.6 1.0 O A:HOH462 5.0 30.3 1.0 N A:ARG3 5.0 15.5 1.0 HG2 A:GLU2 5.0 22.5 1.0

P.J.Cossar, M.Wolter, L.Van Dijck, D.Valenti, L.M.Levy, C.Ottmann, L.Brunsveld. Reversible Covalent Imine-Tethering For Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc. 2021.
ISSN: ESSN 1520-5126
PubMed: 34047554
DOI: 10.1021/JACS.1C03035