Chlorine 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:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Ovine Beta-Lactoglobulin at Atomic Resolution (pdb code 4ck4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Ovine Beta-Lactoglobulin at Atomic Resolution, PDB code: 4ck4:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Ovine Beta-Lactoglobulin at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ovine Beta-Lactoglobulin at Atomic Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1112 b:66.1 occ:0.60 O A:HOH2089 2.8 33.3 1.0 O A:HOH2083 3.0 67.2 1.0 NZ A:LYS60 3.4 27.4 0.5 O A:ACT1111 3.5 47.2 0.6 O A:HOH2084 3.5 29.3 0.5 CA A:PRO38 3.8 13.2 1.0 O A:HOH2139 3.9 61.8 1.0 O A:HOH2087 4.2 28.9 1.0 CB A:PRO38 4.3 16.5 1.0 O A:SER36 4.3 19.1 1.0 C A:ACT1111 4.3 44.9 0.6 OXT A:ACT1111 4.5 54.9 0.6 O A:PRO38 4.5 14.3 1.0 O A:HOH2201 4.5 32.1 1.0 N A:PRO38 4.6 13.7 1.0 CE A:LYS60 4.6 32.0 0.5 C A:PRO38 4.6 13.2 1.0 O A:ALA37 4.7 13.3 1.0 O A:HOH2072 4.7 52.0 1.0 C A:ALA37 4.8 12.2 1.0 CE A:LYS60 4.8 39.7 0.5 CD A:LYS60 4.9 32.7 0.5

Chlorine binding site 2 out of 3 in the Ovine Beta-Lactoglobulin at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ovine Beta-Lactoglobulin at Atomic Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1112 b:63.2 occ:0.50 O B:HOH2196 2.9 69.8 1.0 O B:HOH2188 2.9 23.0 1.0 CB B:ASP98 3.6 15.2 1.0 CA B:ASP98 3.9 13.6 1.0 O B:HOH2184 4.0 39.7 0.7 O B:THR97 4.6 12.1 1.0 N B:NH41108 4.6 30.1 1.0 O B:ASP98 4.8 15.7 1.0 C B:ASP98 4.9 12.2 1.0 N B:ASP98 4.9 12.0 1.0 O B:HOH2014 4.9 31.6 1.0

Chlorine binding site 3 out of 3 in the Ovine Beta-Lactoglobulin at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Ovine Beta-Lactoglobulin at Atomic Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1113 b:49.9 occ:0.80 O B:HOH2231 2.9 22.5 1.0 O B:HOH2074 3.5 51.0 1.0 CA B:ALA139 3.5 11.3 1.0 N B:ALA139 3.8 10.7 1.0 O B:HOH2241 3.8 61.9 1.0 CG B:LYS138 3.9 21.8 1.0 O B:HOH2235 3.9 29.4 0.4 CB B:ALA139 4.0 11.4 1.0 C B:LYS138 4.1 12.9 1.0 O B:LYS138 4.1 12.8 1.0 O B:HOH2019 4.1 23.1 1.0 O B:HOH2243 4.2 17.6 1.0 CE B:LYS138 4.2 43.6 1.0 O B:HOH2016 4.3 12.7 0.5 CD B:LYS138 4.3 29.7 1.0 CB B:LYS138 4.6 15.4 1.0 NZ B:LYS138 4.6 39.8 1.0 C B:ALA139 4.8 11.2 1.0 O B:ALA139 5.0 11.3 1.0 O B:LYS135 5.0 11.1 1.0

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