Chlorine in PDB 1kx4: X-Ray Structure of the Nucleosome Core Particle, NCP146B, at 2.6 A Resolution

The structure of X-Ray Structure of the Nucleosome Core Particle, NCP146B, at 2.6 A Resolution, PDB code: 1kx4 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 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.300, 175.690, 109.530, 90.00, 90.00, 90.00
R / Rfree (%)	24.6 / 30

The structure of X-Ray Structure of the Nucleosome Core Particle, NCP146B, at 2.6 A Resolution also contains other interesting chemical elements:

Manganese

(Mn)

6 atoms

The binding sites of Chlorine atom in the X-Ray Structure of the Nucleosome Core Particle, NCP146B, at 2.6 A Resolution (pdb code 1kx4). 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, NCP146B, at 2.6 A Resolution, PDB code: 1kx4:
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, NCP146B, at 2.6 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, NCP146B, at 2.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl442 b:48.5 occ:1.00 NZ A:LYS122 3.3 27.8 1.0 N A:LYS122 3.5 17.4 1.0 CB A:PRO121 3.7 17.8 1.0 CD A:PRO121 3.7 19.5 1.0 CG A:LYS122 3.9 21.9 1.0 CB A:LYS122 3.9 18.6 1.0 N A:PRO121 4.0 18.3 1.0 CG A:PRO121 4.0 20.7 1.0 CB A:MET120 4.1 21.4 1.0 CA A:PRO121 4.3 16.2 1.0 CA A:LYS122 4.3 19.6 1.0 C A:PRO121 4.3 18.1 1.0 CE A:LYS122 4.5 25.2 1.0 CE A:MET120 4.6 25.5 1.0 C A:MET120 4.6 20.9 1.0 CD A:LYS122 4.6 22.0 1.0 CA A:MET120 4.9 20.5 1.0 SD A:MET120 5.0 30.2 1.0

Chlorine binding site 2 out of 4 in the X-Ray Structure of the Nucleosome Core Particle, NCP146B, at 2.6 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, NCP146B, at 2.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl441 b:43.9 occ:1.00 N C:GLY46 3.3 31.2 1.0 N D:SER88 3.6 22.8 1.0 CB D:THR87 3.7 25.3 1.0 CA C:GLY46 3.7 30.3 1.0 N C:ALA47 3.9 29.1 1.0 CA D:THR87 3.9 24.8 1.0 N C:ALA45 3.9 33.9 1.0 CA C:GLY44 4.0 32.4 1.0 C C:GLY44 4.1 31.8 1.0 C C:GLY46 4.1 29.8 1.0 CG2 D:THR87 4.1 20.5 1.0 C D:THR87 4.2 23.8 1.0 OP1 J:DA38 4.2 68.2 1.0 OG D:SER88 4.3 26.5 1.0 CB D:SER88 4.4 21.1 1.0 C C:ALA45 4.4 32.2 1.0 CA D:SER88 4.6 23.3 1.0 CA C:ALA45 4.7 33.1 1.0 O C:GLY44 4.7 29.8 1.0 OG1 D:THR87 4.8 25.1 1.0 CA C:ALA47 4.9 28.5 1.0

Chlorine binding site 3 out of 4 in the X-Ray Structure of the Nucleosome Core Particle, NCP146B, at 2.6 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, NCP146B, at 2.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl443 b:55.6 occ:1.00 N E:LYS122 3.5 22.0 1.0 CE E:LYS122 3.7 27.5 1.0 CG E:LYS122 3.7 25.0 1.0 CB E:LYS122 3.8 20.0 1.0 CD E:PRO121 3.9 27.6 1.0 CB E:PRO121 4.0 24.2 1.0 N E:PRO121 4.0 26.5 1.0 CB E:MET120 4.0 27.5 1.0 CA E:LYS122 4.2 22.2 1.0 CD E:LYS122 4.2 23.3 1.0 CA E:PRO121 4.4 25.1 1.0 C E:PRO121 4.4 24.8 1.0 CG E:PRO121 4.4 25.7 1.0 C E:MET120 4.6 26.9 1.0 SD E:MET120 4.7 36.3 1.0 NZ E:LYS122 4.8 31.6 1.0 CG E:MET120 4.9 29.5 1.0 CA E:MET120 5.0 28.0 1.0

Chlorine binding site 4 out of 4 in the X-Ray Structure of the Nucleosome Core Particle, NCP146B, at 2.6 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, NCP146B, at 2.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl440 b:36.9 occ:1.00 N G:GLY46 3.2 24.8 1.0 N H:SER88 3.4 22.2 1.0 CB H:THR87 3.6 20.6 1.0 N G:ALA47 3.6 22.8 1.0 CA G:GLY46 3.7 25.7 1.0 CA H:THR87 3.7 23.1 1.0 CA G:GLY44 3.7 29.5 1.0 C G:GLY44 3.8 29.9 1.0 N G:ALA45 3.9 29.1 1.0 C G:GLY46 3.9 25.7 1.0 C H:THR87 4.1 23.8 1.0 OP1 I:DC38 4.1 47.7 1.0 CB H:SER88 4.1 23.1 1.0 OG H:SER88 4.3 25.5 1.0 C G:ALA45 4.3 26.0 1.0 CA H:SER88 4.4 23.1 1.0 O G:GLY44 4.4 29.6 1.0 CG2 H:THR87 4.5 17.2 1.0 CA G:ALA47 4.6 22.1 1.0 OG1 H:THR87 4.6 27.1 1.0 CA G:ALA45 4.6 27.8 1.0 N G:GLY44 4.7 30.0 1.0 CB G:ALA47 4.8 19.8 1.0 O G:GLY46 5.0 26.0 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