Chlorine in PDB 1kx5: X-Ray Structure of the Nucleosome Core Particle, NCP147, at 1.9 A Resolution

The structure of X-Ray Structure of the Nucleosome Core Particle, NCP147, at 1.9 A Resolution, PDB code: 1kx5 was solved by C.A.Davey, D.F.Sargent, K.Luger, A.W.Maeder, T.J.Richmond, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 1.94
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.950, 181.170, 109.490, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 27.5

The structure of X-Ray Structure of the Nucleosome Core Particle, NCP147, at 1.9 A Resolution also contains other interesting chemical elements:

Manganese

(Mn)

14 atoms

The binding sites of Chlorine atom in the X-Ray Structure of the Nucleosome Core Particle, NCP147, at 1.9 A Resolution (pdb code 1kx5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the X-Ray Structure of the Nucleosome Core Particle, NCP147, at 1.9 A Resolution, PDB code: 1kx5:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the X-Ray Structure of the Nucleosome Core Particle, NCP147, at 1.9 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of the Nucleosome Core Particle, NCP147, at 1.9 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl3147 b:28.7 occ:0.71 N A:LYS122 3.2 26.5 1.0 O I:HOH3545 3.3 66.2 1.0 O A:HOH3239 3.3 54.2 1.0 O I:HOH3737 3.5 60.1 1.0 O A:HOH3235 3.6 79.9 1.0 CD A:PRO121 3.6 26.8 1.0 CG A:LYS122 3.7 28.1 1.0 N A:PRO121 3.7 21.6 1.0 CB A:PRO121 3.8 24.5 1.0 O I:HOH3570 3.8 58.1 1.0 CB A:LYS122 3.8 23.1 1.0 CB A:MET120 3.9 23.9 1.0 O I:HOH3399 4.0 62.8 1.0 CA A:LYS122 4.1 24.7 1.0 C A:PRO121 4.1 24.2 1.0 CA A:PRO121 4.1 23.8 1.0 CG A:PRO121 4.1 25.3 1.0 CD A:LYS122 4.2 31.7 1.0 C A:MET120 4.4 23.5 1.0 CE A:LYS122 4.6 39.5 1.0 CA A:MET120 4.7 23.1 1.0 CG A:MET120 4.8 28.3 1.0 SD A:MET120 4.9 34.3 1.0

Chlorine binding site 2 out of 4 in the X-Ray Structure of the Nucleosome Core Particle, NCP147, at 1.9 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of the Nucleosome Core Particle, NCP147, at 1.9 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl3146 b:32.3 occ:1.00 O D:HOH3170 3.2 39.9 1.0 N C:GLY46 3.2 26.9 1.0 N D:SER88 3.3 27.1 1.0 O J:HOH3181 3.4 42.2 1.0 CB D:THR87 3.5 28.9 1.0 CA D:THR87 3.5 29.4 1.0 CA C:GLY46 3.6 28.0 1.0 N C:ALA47 3.6 29.6 1.0 CA C:GLY44 3.7 31.1 1.0 C C:GLY44 3.7 31.2 1.0 C D:THR87 3.9 27.3 1.0 N C:ALA45 3.9 32.2 1.0 C C:GLY46 3.9 27.8 1.0 O C:GLY44 4.2 31.1 1.0 CG2 D:THR87 4.2 32.8 1.0 OG D:SER88 4.2 32.8 1.0 OP1 J:DA38 4.3 51.1 1.0 C C:ALA45 4.3 27.5 1.0 CB D:SER88 4.4 30.2 1.0 O J:HOH3234 4.4 62.2 1.0 CA D:SER88 4.4 26.2 1.0 N C:GLY44 4.5 27.7 1.0 CA C:ALA47 4.6 27.1 1.0 OG1 D:THR87 4.7 30.4 1.0 CA C:ALA45 4.7 31.9 1.0 CB C:ALA47 4.7 24.5 1.0 O J:HOH3419 4.7 55.2 1.0 N D:THR87 4.8 27.6 1.0 O D:ILE86 4.8 29.8 1.0 O C:HOH237 4.9 55.2 1.0 O C:GLY46 5.0 27.1 1.0

Chlorine binding site 3 out of 4 in the X-Ray Structure of the Nucleosome Core Particle, NCP147, at 1.9 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of the Nucleosome Core Particle, NCP147, at 1.9 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl3148 b:23.4 occ:0.68 O E:HOH3149 3.2 55.6 1.0 N E:LYS122 3.3 23.0 1.0 O F:HOH228 3.5 60.0 1.0 O F:HOH244 3.5 69.0 1.0 CD E:PRO121 3.6 21.6 1.0 CG E:LYS122 3.6 24.2 1.0 N E:PRO121 3.7 21.4 1.0 O F:HOH254 3.7 46.3 1.0 CB E:LYS122 3.8 22.6 1.0 CB E:PRO121 3.8 23.4 1.0 CB E:MET120 3.9 20.6 1.0 O F:HOH280 3.9 74.3 1.0 CE E:MET120 4.0 33.8 1.0 CD E:LYS122 4.1 30.5 1.0 CA E:LYS122 4.1 21.0 1.0 CA E:PRO121 4.1 21.4 1.0 C E:PRO121 4.1 20.7 1.0 CE E:LYS122 4.1 39.1 1.0 CG E:PRO121 4.1 22.3 1.0 C E:MET120 4.3 21.2 1.0 CA E:MET120 4.7 20.5 1.0 CG E:MET120 4.8 21.4 1.0 SD E:MET120 4.9 29.0 1.0 O F:HOH243 5.0 60.5 1.0 O E:HOH3197 5.0 46.3 1.0 NZ E:LYS122 5.0 50.6 1.0

Chlorine binding site 4 out of 4 in the X-Ray Structure of the Nucleosome Core Particle, NCP147, at 1.9 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Structure of the Nucleosome Core Particle, NCP147, at 1.9 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl3145 b:36.3 occ:1.00 N H:SER88 3.3 32.6 1.0 N G:GLY46 3.3 35.1 1.0 O H:HOH3316 3.5 51.5 1.0 CA H:THR87 3.5 36.6 1.0 N G:ALA47 3.5 36.9 1.0 CB H:THR87 3.5 37.7 1.0 O I:HOH3246 3.6 58.9 1.0 C G:GLY44 3.7 40.4 1.0 CA G:GLY44 3.7 39.2 1.0 CA G:GLY46 3.7 36.9 1.0 C H:THR87 3.8 35.9 1.0 C G:GLY46 3.9 35.3 1.0 N G:ALA45 3.9 41.1 1.0 O G:GLY44 4.1 39.4 1.0 OG H:SER88 4.1 38.0 1.0 CB H:SER88 4.2 34.3 1.0 CG2 H:THR87 4.3 38.4 1.0 CA H:SER88 4.3 32.6 1.0 C G:ALA45 4.3 37.0 1.0 CA G:ALA47 4.5 33.8 1.0 CB G:ALA47 4.5 36.3 1.0 OP1 I:DA38 4.6 59.5 1.0 N G:GLY44 4.6 36.1 1.0 OG1 H:THR87 4.6 36.5 1.0 CA G:ALA45 4.7 38.9 1.0 O H:HOH3213 4.8 73.9 1.0 N H:THR87 4.8 32.3 1.0 O H:ILE86 4.9 33.1 1.0 O G:GLY46 5.0 35.4 1.0

C.A.Davey, D.F.Sargent, K.Luger, A.W.Maeder, T.J.Richmond. Solvent Mediated Interactions in the Structure of the Nucleosome Core Particle at 1.9 A Resolution J.Mol.Biol. V. 319 1097 2002.
ISSN: ISSN 0022-2836
PubMed: 12079350
DOI: 10.1016/S0022-2836(02)00386-8