Calcium in PDB 7az1: 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1013

All present enzymatic activity of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1013:
5.2.1.8;

The structure of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1013, PDB code: 7az1 was solved by M.Wolter, L.V.Dijck, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.44 / 1.15
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.254, 111.748, 62.456, 90, 90, 90
R / Rfree (%)	18.3 / 19.2

The structure of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1013 also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Fluorine	(F)	3 atoms

The binding sites of Calcium atom in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1013 (pdb code 7az1). 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 with PIN1 Binding Site PS72 and Covalently Bound LVD1013, PDB code: 7az1:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1013


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 with PIN1 Binding Site PS72 and Covalently Bound LVD1013 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:19.8 occ:1.00 OE1 A:GLU35 2.3 19.9 1.0 O A:GLU110 2.3 18.6 1.0 O A:HOH487 2.3 27.2 1.0 O A:HOH617 2.4 26.4 1.0 CD A:GLU35 2.9 22.3 1.0 OE2 A:GLU35 2.9 29.0 1.0 C A:GLU110 3.5 15.7 1.0 N A:GLY112 4.0 17.6 1.0 O A:HOH639 4.1 46.1 1.0 CG A:GLU35 4.3 17.1 1.0 CA A:GLU110 4.4 14.7 1.0 N A:ALA111 4.4 14.9 1.0 OE1 A:GLU110 4.5 29.9 1.0 O A:HOH623 4.5 32.2 1.0 O A:HOH461 4.5 33.0 1.0 CA A:ALA111 4.5 15.9 1.0 CB A:GLU110 4.6 16.2 1.0 C A:ALA111 4.7 16.2 1.0 O A:HOH567 4.7 33.1 1.0 CA A:GLY112 4.8 18.1 1.0

Calcium binding site 2 out of 2 in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1013


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 with PIN1 Binding Site PS72 and Covalently Bound LVD1013 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:31.9 occ:0.42 O A:LYS77 2.4 42.2 1.0 O A:HOH649 2.5 39.5 1.0 OE1 A:GLU80 2.5 19.7 1.0 OE2 A:GLU80 2.8 19.9 1.0 CD A:GLU80 2.9 18.4 1.0 O A:HOH466 3.0 28.7 1.0 C A:LYS77 3.5 40.6 1.0 CA A:GLY78 4.0 24.9 1.0 N A:GLY78 4.1 32.0 1.0 CG A:GLU80 4.2 16.4 1.0 CA A:LYS77 4.5 45.6 1.0 C A:GLY78 4.7 20.6 1.0 CB A:GLU80 4.8 15.1 1.0 CD A:PRO79 4.9 21.6 1.0 CB A:LYS77 5.0 47.7 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