Calcium in PDB 6fnb: 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: 6fnb was solved by D.Bier, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.98 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	71.800, 103.310, 113.060, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 24.8

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 6fnb). 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: 6fnb:
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:Ca303 b:0.8 occ:1.00 CL A:CL305 2.8 0.3 1.0 CL A:CL304 2.9 99.0 1.0 OD1 A:ASP20 3.4 68.8 1.0 N A:TYR19 4.0 49.4 1.0 CG A:ASP20 4.0 62.2 1.0 N A:ASP20 4.0 51.5 1.0 CB A:ASP20 4.1 58.8 1.0 O A:HOH449 4.1 64.7 1.0 O A:HOH491 4.2 55.4 1.0 CA A:ARG18 4.2 49.9 1.0 C A:ARG18 4.3 50.7 1.0 CA A:ASP20 4.7 55.5 1.0 O A:GLU17 4.8 57.4 1.0 CA A:TYR19 4.9 48.4 1.0 OD2 A:ASP20 4.9 65.9 1.0 CB A:ARG18 4.9 50.3 1.0 C A:TYR19 4.9 49.1 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:0.5 occ:1.00 CL B:CL305 2.8 88.6 1.0 CL B:CL306 3.2 93.1 1.0 OD1 B:ASP20 3.5 60.1 1.0 CG B:ASP20 3.7 56.3 1.0 CB B:ASP20 3.9 54.0 1.0 N B:ASP20 4.0 49.9 1.0 O B:HOH419 4.1 62.5 1.0 O B:HOH474 4.2 57.5 1.0 N B:TYR19 4.3 47.5 1.0 OD2 B:ASP20 4.3 57.5 1.0 CA B:ARG18 4.5 49.5 1.0 C B:ARG18 4.6 48.0 1.0 O A:HOH490 4.6 64.9 1.0 CA B:ASP20 4.6 53.2 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