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

Protein crystallography data

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

Other elements in 4ck4:

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

Sodium (Na) 2 atoms

Chlorine Binding Sites:

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 4ck4

Go back to Chlorine Binding Sites List in 4ck4
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 4ck4

Go back to Chlorine Binding Sites List in 4ck4
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 4ck4

Go back to Chlorine Binding Sites List in 4ck4
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

Reference:

G.Kontopidis, A.Nordle, L.Sawyer. Ovine Beta-Lactoglobulin at Atomic Resolution Acta Crystallogr.,Sect.F 2014.
ISSN: ESSN 1744-3091
Page generated: Sat Dec 12 10:29:45 2020

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