Calcium in PDB 6yox: 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-027

The structure of 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-027, PDB code: 6yox was solved by M.Wolter, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.01 / 2.05
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.148, 111.890, 62.269, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 24.5

The structure of 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-027 also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Calcium atom in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-027 (pdb code 6yox). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-027, PDB code: 6yox:

Calcium binding site 1 out of 1 in the 14-3-3 Sigma with Rela/P65 Binding Site PS45 and Covalently Bound TCF521-027


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 Rela/P65 Binding Site PS45 and Covalently Bound TCF521-027 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:41.4 occ:1.00 O A:HOH544 2.1 36.2 1.0 O A:GLU110 2.3 29.2 1.0 OE1 A:GLU35 2.4 35.8 1.0 O A:HOH562 2.5 38.8 1.0 OE2 A:GLU35 2.6 38.2 1.0 CD A:GLU35 2.8 37.5 1.0 C A:GLU110 3.5 32.2 1.0 O A:HOH521 3.9 57.5 1.0 N A:GLY112 4.0 33.7 1.0 CG A:GLU35 4.3 35.0 1.0 CA A:GLU110 4.3 32.4 1.0 OE1 A:GLU110 4.5 41.8 1.0 N A:ALA111 4.5 28.1 1.0 CB A:GLU110 4.6 34.2 1.0 CA A:ALA111 4.6 31.1 1.0 O A:HOH525 4.7 39.5 1.0 C A:ALA111 4.7 32.4 1.0 O A:HOH559 4.8 45.7 1.0 CA A:GLY112 4.8 38.8 1.0

M.Wolter, D.Valenti, P.J.Cossar, L.M.Levy, S.Hristeva, T.Genski, T.Hoffmann, L.Brunsveld, D.Tzalis, C.Ottmann. Fragment-Based Stabilizers of Protein-Protein Interactions Through Imine-Based Tethering. Angew.Chem.Int.Ed.Engl. 2020.
ISSN: ESSN 1521-3773
PubMed: 32816380
DOI: 10.1002/ANIE.202008585