Calcium in PDB 6fnc: Mono- and Bivalent 14-3-3 Inhibitors For Characterizing Supramolecular Lysine-Peg Interactions in Proteins

The structure of Mono- and Bivalent 14-3-3 Inhibitors For Characterizing Supramolecular Lysine-Peg Interactions in Proteins, PDB code: 6fnc was solved by D.Bier, C.Ottann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.66 / 2.12
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	71.999, 102.992, 113.875, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 24.6

The structure of Mono- and Bivalent 14-3-3 Inhibitors For Characterizing Supramolecular Lysine-Peg Interactions in Proteins also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Calcium atom in the Mono- and Bivalent 14-3-3 Inhibitors For Characterizing Supramolecular Lysine-Peg Interactions in Proteins (pdb code 6fnc). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Mono- and Bivalent 14-3-3 Inhibitors For Characterizing Supramolecular Lysine-Peg Interactions in Proteins, PDB code: 6fnc:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Mono- and Bivalent 14-3-3 Inhibitors For Characterizing Supramolecular Lysine-Peg Interactions in Proteins


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Mono- and Bivalent 14-3-3 Inhibitors For Characterizing Supramolecular Lysine-Peg Interactions in Proteins within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca304 b:79.0 occ:0.70 CL A:CL306 2.6 74.5 0.7 CL A:CL305 2.7 68.2 0.7 N A:TYR19 4.0 47.8 1.0 CA A:ARG18 4.0 47.8 1.0 N A:ASP20 4.0 49.9 1.0 O A:HOH513 4.1 51.1 1.0 CB A:ASP20 4.2 55.8 1.0 CG A:ASP20 4.2 61.1 1.0 OD1 A:ASP20 4.2 63.2 1.0 C A:ARG18 4.2 47.8 1.0 O B:HOH497 4.4 70.7 1.0 O A:HOH493 4.4 74.1 1.0 O A:GLU17 4.6 50.5 1.0 CB A:ARG18 4.6 47.2 1.0 OD2 A:ASP20 4.7 66.6 1.0 CA A:ASP20 4.7 52.4 1.0 CA A:TYR19 5.0 47.1 1.0 CG A:ARG18 5.0 47.5 1.0

Calcium binding site 2 out of 2 in the Mono- and Bivalent 14-3-3 Inhibitors For Characterizing Supramolecular Lysine-Peg Interactions in Proteins


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Mono- and Bivalent 14-3-3 Inhibitors For Characterizing Supramolecular Lysine-Peg Interactions in Proteins within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca304 b:84.4 occ:0.70 CL B:CL305 2.7 66.3 0.7 CL B:CL306 2.9 69.9 0.7 O B:HOH497 3.1 70.7 1.0 OD1 B:ASP20 3.7 63.6 1.0 CG B:ASP20 3.9 57.8 1.0 N B:TYR19 4.0 45.5 1.0 N B:ASP20 4.0 48.9 1.0 O B:HOH413 4.1 67.9 1.0 CA B:ARG18 4.1 47.6 1.0 O B:HOH501 4.1 51.5 1.0 CB B:ASP20 4.1 54.1 1.0 C B:ARG18 4.2 46.2 1.0 O B:HOH468 4.5 66.0 1.0 OD2 B:ASP20 4.5 62.1 1.0 O B:GLU17 4.7 51.2 1.0 CB B:ARG18 4.7 47.1 1.0 CA B:ASP20 4.7 50.8 1.0 CA B:TYR19 4.9 47.0 1.0 C B:TYR19 5.0 47.4 1.0

E.Yilmaz, D.Bier, X.Guillory, J.Briels, Y.B.Ruiz-Blanco, E.Sanchez-Garcia, C.Ottmann, M.Kaiser. Mono- and Bivalent 14-3-3 Inhibitors For Characterizing Supramolecular "Lysine Wrapping" of Oligoethylene Glycol (Oeg) Moieties in Proteins. Chemistry V. 24 13807 2018.
ISSN: ISSN 1521-3765
PubMed: 29924885
DOI: 10.1002/CHEM.201801074