Calcium in PDB 7bgw: 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1011

All present enzymatic activity of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1011:
5.2.1.8;

The structure of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1011, PDB code: 7bgw 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)	34.42 / 1.90
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.455, 111.794, 62.559, 90, 90, 90
R / Rfree (%)	17.2 / 20.3

The structure of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1011 also contains other interesting chemical elements:

Sodium	(Na)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Calcium atom in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1011 (pdb code 7bgw). 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 LVD1011, PDB code: 7bgw:
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 LVD1011


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 LVD1011 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:27.4 occ:0.56 OE1 A:GLU2 2.4 16.2 1.0 O A:HOH519 2.4 11.0 1.0 O A:HOH631 2.5 29.4 1.0 O A:HOH654 2.7 32.3 1.0 CD A:GLU2 3.5 13.0 1.0 OE2 A:GLU2 3.9 12.7 1.0 O A:HOH561 4.3 7.9 1.0 O A:HOH709 4.4 11.8 1.0 CG A:GLU2 4.7 6.7 1.0 O A:HOH465 4.9 23.2 1.0 CA A:GLU2 4.9 8.8 1.0 CB A:GLU2 4.9 6.1 1.0 N A:ARG3 5.0 4.8 1.0

Calcium binding site 2 out of 2 in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1011


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 LVD1011 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:12.2 occ:0.77 O A:GLU110 2.3 10.1 1.0 O A:HOH513 2.3 24.2 1.0 O A:HOH621 2.4 15.9 1.0 OE1 A:GLU35 2.4 12.4 1.0 OE2 A:GLU35 2.7 18.6 1.0 CD A:GLU35 2.9 23.6 1.0 C A:GLU110 3.6 10.9 1.0 N A:GLY112 4.0 12.1 1.0 CG A:GLU35 4.3 9.8 1.0 CA A:GLU110 4.4 10.7 1.0 O A:HOH549 4.4 20.1 1.0 N A:ALA111 4.5 6.0 1.0 CA A:ALA111 4.5 7.3 1.0 CB A:GLU110 4.5 10.3 1.0 C A:ALA111 4.7 8.9 1.0 OE1 A:GLU110 4.7 21.5 1.0 CA A:GLY112 4.7 16.1 1.0 O A:HOH638 4.8 23.1 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