Chlorine in PDB 5f99: X-Ray Structure of the Mmtv-A Nucleosome Core Particle

The structure of X-Ray Structure of the Mmtv-A Nucleosome Core Particle, PDB code: 5f99 was solved by T.D.Frouws, T.J.Richmond, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.68 / 2.63
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	107.873, 178.915, 109.061, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 25.2

The structure of X-Ray Structure of the Mmtv-A Nucleosome Core Particle also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the X-Ray Structure of the Mmtv-A Nucleosome Core Particle (pdb code 5f99). 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 Mmtv-A Nucleosome Core Particle, PDB code: 5f99:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the X-Ray Structure of the Mmtv-A 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 X-Ray Structure of the Mmtv-A Nucleosome Core Particle within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:49.6 occ:0.51 CG A:PRO121 3.1 67.6 1.0 CD A:PRO121 3.1 76.1 1.0 N A:LYS122 3.1 58.8 1.0 CE A:MET120 3.3 86.3 1.0 NZ A:LYS122 3.3 82.4 1.0 CB A:LYS122 3.5 60.1 1.0 N A:PRO121 3.6 77.3 1.0 CB A:MET120 3.7 65.2 1.0 CG A:LYS122 3.8 50.7 1.0 CA A:LYS122 3.8 61.2 1.0 C A:PRO121 4.1 54.2 1.0 CA A:PRO121 4.2 74.6 1.0 CB A:PRO121 4.2 61.0 1.0 CE A:LYS122 4.4 79.8 1.0 C A:MET120 4.4 75.5 1.0 CD A:LYS122 4.5 79.9 1.0 CG A:MET120 4.6 78.4 1.0 SD A:MET120 4.6 81.3 1.0 CA A:MET120 4.6 61.7 1.0

Chlorine binding site 2 out of 4 in the X-Ray Structure of the Mmtv-A 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 X-Ray Structure of the Mmtv-A Nucleosome Core Particle within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl201 b:67.5 occ:0.88 N C:GLY46 3.1 71.3 1.0 N D:SER91 3.3 65.7 1.0 N C:ALA47 3.4 60.6 1.0 OG D:SER91 3.5 75.3 1.0 CA D:THR90 3.5 67.2 1.0 CB D:THR90 3.5 56.4 1.0 N C:ALA45 3.5 69.4 1.0 CA C:GLY46 3.7 73.5 1.0 CA C:GLY44 3.7 64.7 1.0 C C:GLY44 3.7 69.1 1.0 C D:THR90 3.9 68.1 1.0 C C:GLY46 4.0 72.3 1.0 CB D:SER91 4.1 51.5 1.0 OP1 J:DA38 4.1 96.9 1.0 CG2 D:THR90 4.1 76.6 1.0 C C:ALA45 4.2 76.0 1.0 CA D:SER91 4.3 56.2 1.0 CA C:ALA47 4.4 57.6 1.0 CB C:ALA47 4.4 60.5 1.0 CA C:ALA45 4.4 73.3 1.0 O C:GLY44 4.5 89.5 1.0 OG1 D:THR90 4.7 63.6 1.0 O D:ILE89 4.7 60.2 1.0 N C:GLY44 4.8 83.6 1.0 N D:THR90 4.8 69.2 1.0

Chlorine binding site 3 out of 4 in the X-Ray Structure of the Mmtv-A 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 X-Ray Structure of the Mmtv-A Nucleosome Core Particle within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl201 b:54.7 occ:0.58 N E:LYS122 2.8 45.4 1.0 O F:HOH294 2.9 0.3 1.0 CD E:PRO121 3.3 37.7 1.0 N E:PRO121 3.3 45.5 1.0 CB E:PRO121 3.3 37.6 1.0 CG E:LYS122 3.4 67.2 1.0 CB E:LYS122 3.5 70.7 1.0 CA E:PRO121 3.6 37.4 1.0 CB E:MET120 3.6 39.8 1.0 C E:PRO121 3.7 53.6 1.0 CA E:LYS122 3.7 52.0 1.0 CG E:PRO121 3.8 43.4 1.0 CD E:LYS122 3.8 84.3 1.0 O E:HOH370 3.8 86.3 1.0 C E:MET120 4.0 49.3 1.0 CE E:MET120 4.2 72.2 1.0 CA E:MET120 4.4 55.5 1.0 CG E:MET120 4.6 63.5 1.0 O E:MET120 4.7 58.0 1.0 O E:PRO121 4.9 48.9 1.0 SD E:MET120 4.9 76.1 1.0 C E:LYS122 5.0 58.5 1.0

Chlorine binding site 4 out of 4 in the X-Ray Structure of the Mmtv-A 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 X-Ray Structure of the Mmtv-A Nucleosome Core Particle within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl201 b:62.4 occ:0.73 N H:SER91 3.3 61.1 1.0 N G:GLY46 3.3 71.9 1.0 CB H:THR90 3.5 62.0 1.0 CA H:THR90 3.6 64.5 1.0 N G:ALA47 3.7 74.2 1.0 CA G:GLY44 3.7 56.4 1.0 CA G:GLY46 3.7 77.8 1.0 N G:ALA45 3.7 78.6 1.0 C G:GLY44 3.8 78.2 1.0 C H:THR90 3.9 51.6 1.0 CB H:SER91 4.0 64.1 1.0 OP1 I:DG38 4.1 81.1 1.0 CA H:SER91 4.2 64.5 1.0 C G:GLY46 4.2 85.0 1.0 C G:ALA45 4.3 75.6 1.0 CG2 H:THR90 4.5 60.1 1.0 OG1 H:THR90 4.5 39.7 1.0 CA G:ALA45 4.6 74.7 1.0 O G:GLY44 4.6 67.7 1.0 CB G:ALA47 4.7 72.1 1.0 CA G:ALA47 4.7 47.0 1.0 N G:GLY44 4.7 82.4 1.0 N H:THR90 4.9 81.3 1.0 O H:ILE89 5.0 84.3 1.0

T.D.Frouws, S.C.Duda, T.J.Richmond. X-Ray Structure of the Mmtv-A Nucleosome Core. Proc.Natl.Acad.Sci.Usa V. 113 1214 2016.
ISSN: ESSN 1091-6490
PubMed: 26787910
DOI: 10.1073/PNAS.1524607113