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Chlorine in PDB 3mgs: Binding of Cesium Ions to the Nucleosome Core Particle

Protein crystallography data

The structure of Binding of Cesium Ions to the Nucleosome Core Particle, PDB code: 3mgs was solved by K.Mohideen, R.Muhammad, C.A.Davey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 94.07 / 3.15
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 106.510, 109.668, 182.609, 90.00, 90.00, 90.00
R / Rfree (%) 21.6 / 23.8

Other elements in 3mgs:

The structure of Binding of Cesium Ions to the Nucleosome Core Particle also contains other interesting chemical elements:

Manganese (Mn) 14 atoms
Caesium (Cs) 12 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Binding of Cesium Ions to the Nucleosome Core Particle (pdb code 3mgs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Binding of Cesium Ions to the Nucleosome Core Particle, PDB code: 3mgs:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3mgs

Go back to Chlorine Binding Sites List in 3mgs
Chlorine binding site 1 out of 4 in the Binding of Cesium Ions to the Nucleosome Core Particle


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Binding of Cesium Ions to the Nucleosome Core Particle within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl3147

b:54.7
occ:0.71
N A:LYS122 2.9 46.8 1.0
CD A:PRO121 3.2 47.6 1.0
N A:PRO121 3.4 47.3 1.0
CB A:PRO121 3.5 47.5 1.0
CG A:LYS122 3.6 47.5 1.0
CB A:LYS122 3.6 46.8 1.0
CB A:MET120 3.7 47.2 1.0
CG A:PRO121 3.7 47.2 1.0
CA A:PRO121 3.7 47.5 1.0
C A:PRO121 3.7 47.3 1.0
CA A:LYS122 3.8 46.6 1.0
CD A:LYS122 3.9 49.4 1.0
C A:MET120 4.0 47.0 1.0
CA A:MET120 4.4 47.3 1.0
CE A:LYS122 4.5 50.3 1.0
CG A:MET120 4.6 47.6 1.0
O A:MET120 4.8 46.9 1.0
SD A:MET120 4.8 49.4 1.0
O A:PRO121 4.9 47.4 1.0

Chlorine binding site 2 out of 4 in 3mgs

Go back to Chlorine Binding Sites List in 3mgs
Chlorine binding site 2 out of 4 in the Binding of Cesium Ions to the Nucleosome Core Particle


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Binding of Cesium Ions to the Nucleosome Core Particle within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl3146

b:54.2
occ:1.00
N C:GLY46 3.2 50.2 1.0
N D:SER88 3.4 52.3 1.0
CA C:GLY46 3.5 49.5 1.0
CB D:THR87 3.6 53.5 1.0
CA D:THR87 3.7 53.3 1.0
C C:GLY44 3.7 52.5 1.0
CA C:GLY44 3.8 52.7 1.0
N C:ALA47 3.8 48.3 1.0
N C:ALA45 3.8 51.8 1.0
C C:GLY46 3.9 49.1 1.0
C D:THR87 4.0 52.8 1.0
OG D:SER88 4.1 53.0 1.0
O C:GLY44 4.1 52.7 1.0
CB D:SER88 4.2 52.3 1.0
CG2 D:THR87 4.2 53.8 1.0
OP1 J:DA38 4.2 85.1 1.0
C C:ALA45 4.3 50.8 1.0
CA D:SER88 4.4 52.1 1.0
CA C:ALA45 4.6 51.2 1.0
OG1 D:THR87 4.7 53.9 1.0
CA C:ALA47 4.8 47.6 1.0
N C:GLY44 4.9 53.1 1.0
O C:GLY46 4.9 49.3 1.0
CB C:ALA47 5.0 47.5 1.0

Chlorine binding site 3 out of 4 in 3mgs

Go back to Chlorine Binding Sites List in 3mgs
Chlorine binding site 3 out of 4 in the Binding of Cesium Ions to the Nucleosome Core Particle


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Binding of Cesium Ions to the Nucleosome Core Particle within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl3148

b:47.7
occ:0.68
N E:LYS122 2.9 43.2 1.0
CD E:PRO121 3.5 44.4 1.0
CB E:LYS122 3.5 43.0 1.0
N E:PRO121 3.6 44.2 1.0
CG E:LYS122 3.6 43.5 1.0
CB E:PRO121 3.6 43.7 1.0
CA E:LYS122 3.8 42.8 1.0
C E:PRO121 3.8 43.8 1.0
CB E:MET120 3.9 44.1 1.0
CA E:PRO121 3.9 44.0 1.0
CG E:PRO121 3.9 43.6 1.0
C E:MET120 4.1 44.2 1.0
CD E:LYS122 4.1 45.6 1.0
CE E:LYS122 4.4 49.2 1.0
CE E:MET120 4.5 45.6 1.0
CA E:MET120 4.6 44.3 1.0
O E:MET120 4.8 44.3 1.0
O E:PRO121 5.0 44.3 1.0
CG E:MET120 5.0 44.8 1.0

Chlorine binding site 4 out of 4 in 3mgs

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Chlorine binding site 4 out of 4 in the Binding of Cesium Ions to the Nucleosome Core Particle


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Binding of Cesium Ions to the Nucleosome Core Particle within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl3145

b:62.1
occ:1.00
N G:GLY46 3.0 58.4 1.0
CA G:GLY46 3.4 57.6 1.0
CA G:GLY44 3.5 61.9 1.0
N G:ALA45 3.5 60.6 1.0
N H:SER88 3.5 53.6 1.0
C G:GLY44 3.5 61.1 1.0
N G:ALA47 3.6 56.4 1.0
OG H:SER88 3.7 54.5 1.0
CA H:THR87 3.8 53.7 1.0
CB H:THR87 3.8 53.3 1.0
C G:GLY46 3.9 57.2 1.0
C G:ALA45 4.1 59.1 1.0
C H:THR87 4.1 53.7 1.0
O G:GLY44 4.2 61.2 1.0
OP1 I:DA38 4.3 94.8 1.0
CB H:SER88 4.4 53.6 1.0
CA G:ALA45 4.4 59.7 1.0
CG2 H:THR87 4.5 52.6 1.0
N G:GLY44 4.5 63.0 1.0
CA H:SER88 4.6 53.5 1.0
CA G:ALA47 4.6 55.7 1.0
CB G:ALA47 4.6 55.8 1.0

Reference:

K.Mohideen, R.Muhammad, C.A.Davey. Perturbations in Nucleosome Structure From Heavy Metal Association. Nucleic Acids Res. 2010.
ISSN: ESSN 1362-4962
PubMed: 20494975
DOI: 10.1093/NAR/GKQ420
Page generated: Sun Jul 21 00:11:46 2024

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