Chlorine in PDB 3ayw: Crystal Structure of Human Nucleosome Core Particle Containing H3K56Q Mutation

The structure of Crystal Structure of Human Nucleosome Core Particle Containing H3K56Q Mutation, PDB code: 3ayw 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)	38.99 / 2.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.951, 109.476, 181.558, 90.00, 90.00, 90.00
R / Rfree (%)	21.8 / 27.3

The structure of Crystal Structure of Human Nucleosome Core Particle Containing H3K56Q Mutation also contains other interesting chemical elements:

Manganese

(Mn)

11 atoms

The binding sites of Chlorine atom in the Crystal Structure of Human Nucleosome Core Particle Containing H3K56Q Mutation (pdb code 3ayw). 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 H3K56Q Mutation, PDB code: 3ayw:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Human Nucleosome Core Particle Containing H3K56Q 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 H3K56Q Mutation within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:69.0 occ:1.00 CD A:PRO121 3.3 46.7 1.0 CG A:LYS122 3.4 42.7 1.0 N A:LYS122 3.6 39.3 1.0 N A:PRO121 3.8 45.6 1.0 CB A:PRO121 3.9 42.5 1.0 CG A:PRO121 4.0 39.4 1.0 CB A:MET120 4.0 38.3 1.0 CB A:LYS122 4.1 21.6 1.0 CA A:PRO121 4.3 46.1 1.0 C A:PRO121 4.3 46.1 1.0 CA A:LYS122 4.4 39.3 1.0 NZ A:LYS122 4.4 49.6 1.0 CD A:LYS122 4.4 56.8 1.0 C A:MET120 4.5 39.2 1.0 CD1 B:LEU49 4.7 46.9 1.0 CA A:MET120 4.8 37.9 1.0 SD A:MET120 4.9 52.7 1.0 CG A:MET120 5.0 44.1 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Human Nucleosome Core Particle Containing H3K56Q 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 H3K56Q Mutation within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl202 b:53.1 occ:1.00 N D:SER91 3.2 44.8 1.0 OG D:SER91 3.3 55.1 1.0 CB D:THR90 3.4 51.6 1.0 CA D:THR90 3.6 49.0 1.0 N C:GLY46 3.7 47.3 1.0 OP1 J:DT258 3.8 83.6 1.0 C D:THR90 3.9 46.1 1.0 CG2 D:THR90 3.9 41.7 1.0 CB D:SER91 3.9 51.6 1.0 CA C:GLY46 4.0 40.5 1.0 CA C:GLY44 4.0 48.2 1.0 CA D:SER91 4.1 45.8 1.0 C C:GLY44 4.1 46.0 1.0 C C:GLY46 4.2 47.6 1.0 N C:ALA47 4.2 48.6 1.0 N C:ALA45 4.4 50.1 1.0 O C:GLY44 4.6 51.1 1.0 OG1 D:THR90 4.6 47.4 1.0 C C:ALA45 4.9 54.1 1.0 O C:GLY46 4.9 55.5 1.0 N C:GLY44 5.0 47.0 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Human Nucleosome Core Particle Containing H3K56Q 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 H3K56Q Mutation within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl1001 b:53.2 occ:1.00 N E:LYS122 3.1 40.4 1.0 CB E:LYS122 3.3 48.0 1.0 NZ E:LYS122 3.5 64.2 1.0 CD E:PRO121 3.6 46.2 1.0 CA E:LYS122 3.7 44.6 1.0 CB E:PRO121 3.7 37.2 1.0 N E:PRO121 4.0 46.1 1.0 CG E:PRO121 4.0 39.9 1.0 CB E:MET120 4.1 38.1 1.0 C E:PRO121 4.1 44.5 1.0 CA E:PRO121 4.2 44.8 1.0 CG E:LYS122 4.3 42.0 1.0 C E:MET120 4.5 42.0 1.0 CE E:LYS122 4.6 56.2 1.0 CD1 F:LEU49 4.8 47.9 1.0 CG E:MET120 4.9 44.6 1.0 CD E:LYS122 5.0 60.1 1.0 CA E:MET120 5.0 41.0 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Human Nucleosome Core Particle Containing H3K56Q 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 H3K56Q Mutation within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl1001 b:44.7 occ:1.00 CA G:GLY44 3.1 52.5 1.0 N G:ALA45 3.5 49.5 1.0 C G:GLY44 3.5 48.5 1.0 N G:GLY46 3.5 47.8 1.0 CB H:THR90 3.5 52.9 1.0 N H:SER91 3.7 43.5 1.0 CA H:THR90 3.8 48.4 1.0 N G:ALA47 4.0 53.4 1.0 CG2 H:THR90 4.1 45.4 1.0 CA G:GLY46 4.2 44.1 1.0 N G:GLY44 4.2 53.0 1.0 OP1 I:DA111 4.2 85.6 1.0 OG H:SER91 4.3 64.2 1.0 C H:THR90 4.3 44.9 1.0 O G:GLY44 4.4 54.5 1.0 C G:ALA45 4.5 47.1 1.0 CA G:ALA45 4.5 42.6 1.0 C G:GLY46 4.6 52.3 1.0 CB H:SER91 4.7 55.8 1.0 OG1 H:THR90 4.7 52.2 1.0 CB G:ALA47 4.8 50.6 1.0 CA H:SER91 4.8 48.6 1.0 CA G:ALA47 5.0 49.1 1.0 O H:ILE89 5.0 50.0 1.0

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