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Chlorine in PDB 3azg: Crystal Structure of Human Nucleosome Core Particle Containing H3K115Q Mutation

Protein crystallography data

The structure of Crystal Structure of Human Nucleosome Core Particle Containing H3K115Q Mutation, PDB code: 3azg was solved by W.Iwasaki, H.Tachiwana, K.Kawaguchi, T.Shibata, W.Kagawa, H.Kurumizaka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.16 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 106.527, 109.772, 182.365, 90.00, 90.00, 90.00
R / Rfree (%) 22.6 / 26.9

Other elements in 3azg:

The structure of Crystal Structure of Human Nucleosome Core Particle Containing H3K115Q Mutation also contains other interesting chemical elements:

Manganese (Mn) 9 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Nucleosome Core Particle Containing H3K115Q Mutation (pdb code 3azg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Human Nucleosome Core Particle Containing H3K115Q Mutation, PDB code: 3azg:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3azg

Go back to Chlorine Binding Sites List in 3azg
Chlorine binding site 1 out of 4 in the Crystal Structure of Human Nucleosome Core Particle Containing H3K115Q Mutation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Nucleosome Core Particle Containing H3K115Q Mutation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1001

b:58.4
occ:1.00
N A:LYS122 3.2 30.0 1.0
CD A:PRO121 3.4 41.5 1.0
CB A:LYS122 3.6 32.3 1.0
N A:PRO121 3.7 42.2 1.0
CE A:LYS122 3.7 52.5 1.0
CB A:PRO121 3.7 38.8 1.0
CG A:LYS122 3.8 47.4 1.0
CB A:MET120 3.9 38.2 1.0
CA A:LYS122 4.0 36.2 1.0
CG A:PRO121 4.0 41.1 1.0
C A:PRO121 4.0 36.8 1.0
CA A:PRO121 4.1 38.1 1.0
CD A:LYS122 4.4 46.0 1.0
C A:MET120 4.4 39.6 1.0
CA A:MET120 4.7 29.4 1.0
SD A:MET120 4.8 50.5 1.0
CG A:MET120 4.9 37.9 1.0
NZ A:LYS122 5.0 59.0 1.0

Chlorine binding site 2 out of 4 in 3azg

Go back to Chlorine Binding Sites List in 3azg
Chlorine binding site 2 out of 4 in the Crystal Structure of Human Nucleosome Core Particle Containing H3K115Q Mutation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Nucleosome Core Particle Containing H3K115Q Mutation within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl201

b:46.0
occ:1.00
N C:GLY46 3.2 37.0 1.0
N D:SER91 3.3 37.8 1.0
CB D:THR90 3.5 44.0 1.0
CA C:GLY46 3.6 41.1 1.0
CA D:THR90 3.6 41.4 1.0
N C:ALA47 3.7 35.8 1.0
CA C:GLY44 3.7 50.5 1.0
C C:GLY44 3.8 52.8 1.0
OP1 J:DT258 3.8 81.2 1.0
N C:ALA45 3.9 47.8 1.0
C D:THR90 3.9 44.3 1.0
C C:GLY46 4.0 41.3 1.0
CG2 D:THR90 4.0 36.3 1.0
CB D:SER91 4.2 35.7 1.0
O C:GLY44 4.2 49.8 1.0
C C:ALA45 4.3 46.3 1.0
CA D:SER91 4.3 35.4 1.0
OG D:SER91 4.5 42.3 1.0
CA C:ALA45 4.7 49.0 1.0
OG1 D:THR90 4.7 40.3 1.0
CA C:ALA47 4.7 37.5 1.0
N C:GLY44 4.8 53.0 1.0
CB C:ALA47 4.9 42.7 1.0
N D:THR90 4.9 40.2 1.0
O D:ILE89 4.9 40.2 1.0

Chlorine binding site 3 out of 4 in 3azg

Go back to Chlorine Binding Sites List in 3azg
Chlorine binding site 3 out of 4 in the Crystal Structure of Human Nucleosome Core Particle Containing H3K115Q Mutation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human Nucleosome Core Particle Containing H3K115Q Mutation within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl1002

b:45.6
occ:1.00
N E:LYS122 3.3 26.5 1.0
CD E:LYS122 3.3 43.6 1.0
CB E:LYS122 3.6 24.1 1.0
CD E:PRO121 3.6 29.6 1.0
CE E:MET120 3.8 47.6 1.0
CG E:LYS122 3.8 36.1 1.0
N E:PRO121 3.8 31.5 1.0
CB E:MET120 3.8 35.8 1.0
CB E:PRO121 4.0 31.3 1.0
CA E:LYS122 4.0 28.1 1.0
C E:PRO121 4.2 30.8 1.0
CA E:PRO121 4.2 33.6 1.0
CG E:PRO121 4.3 30.8 1.0
C E:MET120 4.4 33.8 1.0
CE E:LYS122 4.5 46.7 1.0
CA E:MET120 4.7 29.8 1.0
CG E:MET120 4.8 37.3 1.0
SD E:MET120 4.9 48.0 1.0

Chlorine binding site 4 out of 4 in 3azg

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Chlorine binding site 4 out of 4 in the Crystal Structure of Human Nucleosome Core Particle Containing H3K115Q Mutation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human Nucleosome Core Particle Containing H3K115Q Mutation within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl1001

b:49.0
occ:1.00
N G:GLY46 3.1 42.3 1.0
N H:SER91 3.4 40.1 1.0
CA G:GLY46 3.5 38.7 1.0
N G:ALA47 3.6 39.8 1.0
CA G:GLY44 3.6 51.7 1.0
CB H:THR90 3.6 46.5 1.0
CA H:THR90 3.6 44.8 1.0
C G:GLY44 3.7 53.9 1.0
N G:ALA45 3.7 51.7 1.0
C G:GLY46 4.0 42.5 1.0
C H:THR90 4.0 45.9 1.0
OG H:SER91 4.1 47.0 1.0
CG2 H:THR90 4.2 36.3 1.0
C G:ALA45 4.2 44.1 1.0
O G:GLY44 4.3 55.4 1.0
OP1 I:DA111 4.3 92.8 1.0
CB H:SER91 4.3 38.4 1.0
CA H:SER91 4.4 45.1 1.0
CA G:ALA45 4.6 48.1 1.0
N G:GLY44 4.6 48.6 1.0
CA G:ALA47 4.6 36.0 1.0
CB G:ALA47 4.7 42.7 1.0
OG1 H:THR90 4.8 48.4 1.0
O H:ILE89 4.9 43.0 1.0
N H:THR90 4.9 44.0 1.0

Reference:

W.Iwasaki, H.Tachiwana, K.Kawaguchi, T.Shibata, W.Kagawa, H.Kurumizaka. Comprehensive Structural Analysis of Mutant Nucleosomes Containing Lysine to Glutamine (Kq) Substitutions in the H3 and H4 Histone-Fold Domains Biochemistry V. 50 7822 2011.
ISSN: ISSN 0006-2960
PubMed: 21812398
DOI: 10.1021/BI201021H
Page generated: Sat Dec 12 09:32:27 2020

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