Sodium in PDB 4ck4: Ovine Beta-Lactoglobulin at Atomic Resolution

The structure of Ovine Beta-Lactoglobulin at Atomic Resolution, PDB code: 4ck4 was solved by G.Kontopidis, A.Nordle, L.Sawyer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.70 / 1.12
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	37.148, 49.031, 49.053, 69.75, 69.08, 77.56
R / Rfree (%)	13.926 / 16.942

The structure of Ovine Beta-Lactoglobulin at Atomic Resolution also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Sodium atom in the Ovine Beta-Lactoglobulin at Atomic Resolution (pdb code 4ck4). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Ovine Beta-Lactoglobulin at Atomic Resolution, PDB code: 4ck4:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Ovine Beta-Lactoglobulin at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Ovine Beta-Lactoglobulin at Atomic Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1113 b:14.1 occ:0.70 OE2 A:GLU45 2.4 12.8 0.3 OE2 A:GLU45 2.7 13.8 0.7 O A:LEU46 2.9 9.4 1.0 CD A:GLU45 3.1 18.6 0.3 N A:GLY17 3.2 9.3 1.0 CG A:GLU45 3.4 15.2 0.3 CG A:LYS47 3.5 13.8 1.0 CD A:GLU45 3.5 13.1 0.7 CG A:GLU45 3.6 12.7 0.7 CA A:GLY17 3.6 9.6 1.0 C A:LEU46 3.9 9.0 1.0 OE1 A:GLU45 4.0 21.8 0.3 C A:ALA16 4.0 8.8 1.0 CA A:LYS47 4.0 9.8 1.0 CB A:ALA16 4.1 9.2 1.0 CB A:LYS47 4.2 11.3 1.0 CA A:ALA16 4.3 8.1 1.0 C A:GLY17 4.3 8.9 1.0 O A:GLY17 4.3 8.9 1.0 N A:LYS47 4.4 9.0 1.0 CD A:LYS47 4.6 18.1 1.0 CE A:LYS47 4.6 23.0 1.0 OE1 A:GLU45 4.7 17.3 0.7 N A:LEU46 4.8 9.0 1.0 CB A:GLU45 4.9 15.1 0.3 O A:ALA16 4.9 9.2 1.0 CD A:PRO48 5.0 12.6 1.0

Sodium binding site 2 out of 2 in the Ovine Beta-Lactoglobulin at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Ovine Beta-Lactoglobulin at Atomic Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Na1114 b:32.3 occ:0.80 O B:HOH2226 2.7 53.3 1.0 OD2 B:ASP137 2.7 21.6 1.0 CD B:GLU134 3.0 53.0 1.0 OE1 B:GLU134 3.1 70.3 1.0 OE2 B:GLU134 3.1 60.1 1.0 O B:HOH2217 3.5 43.9 1.0 CA B:GLU134 3.5 16.3 1.0 CG B:GLU134 3.7 29.8 1.0 O B:LEU133 3.7 13.0 1.0 CG B:ASP137 3.7 13.2 1.0 N B:GLU134 3.8 14.5 1.0 C B:LEU133 3.8 13.0 1.0 CB B:ASP137 4.0 13.2 1.0 CB B:GLU134 4.1 20.5 1.0 O B:HOH2238 4.2 22.4 1.0 CB B:LEU133 4.5 11.8 1.0 O B:HOH2225 4.5 24.3 1.0 NH2 B:ARG148 4.6 13.7 1.0 C B:GLU134 4.7 13.5 1.0 CA B:LEU133 4.8 11.8 1.0 OD1 B:ASP137 4.8 18.5 1.0 O B:GLU134 4.9 13.4 1.0

G.Kontopidis, A.Nordle, L.Sawyer. Ovine Beta-Lactoglobulin at Atomic Resolution Acta Crystallogr.,Sect.F 2014.
ISSN: ESSN 1744-3091