Calcium in PDB 7nif: 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound TCF521- 011

All present enzymatic activity of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound TCF521- 011:
5.2.1.8;

The structure of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound TCF521- 011, PDB code: 7nif 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)	33.19 / 1.71
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.388, 112.052, 62.531, 90, 90, 90
R / Rfree (%)	21.1 / 23.9

The structure of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound TCF521- 011 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound TCF521- 011 (pdb code 7nif). 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 TCF521- 011, PDB code: 7nif:
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 TCF521- 011


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 TCF521- 011 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:14.1 occ:0.83 O A:GLU110 2.3 11.2 1.0 O A:HOH495 2.4 21.9 1.0 O A:HOH601 2.4 13.4 1.0 OE2 A:GLU35 2.4 15.1 1.0 OE1 A:GLU35 2.8 20.6 1.0 CD A:GLU35 2.9 22.4 1.0 C A:GLU110 3.5 14.9 1.0 N A:GLY112 3.9 14.9 1.0 CG A:GLU35 4.4 14.6 1.0 CA A:GLU110 4.4 10.6 1.0 N A:ALA111 4.5 9.6 1.0 CA A:ALA111 4.5 9.7 1.0 O A:HOH628 4.6 27.1 1.0 CB A:GLU110 4.6 13.3 1.0 OE1 A:GLU110 4.6 25.6 1.0 O A:HOH541 4.6 27.5 1.0 C A:ALA111 4.7 11.6 1.0 CA A:GLY112 4.7 17.0 1.0 O A:HOH480 4.8 29.9 1.0

Calcium binding site 2 out of 2 in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound TCF521- 011


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 TCF521- 011 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:39.9 occ:0.63 O A:HOH475 2.5 11.7 1.0 O A:HOH611 2.5 29.2 1.0 OE1 A:GLU2 2.5 14.2 1.0 CD A:GLU2 3.5 11.4 1.0 OE2 A:GLU2 3.9 13.3 1.0 O A:HOH561 4.4 8.2 1.0 O A:HOH715 4.5 10.4 1.0 CG A:GLU2 4.8 7.1 1.0 O A:HOH446 4.9 22.5 1.0 CA A:GLU2 4.9 10.0 1.0 N A:ARG3 5.0 9.1 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