Chlorine in PDB 3uta: Crystal Structure of Nucleosome Core Particle Assembled with An Alpha- Satellite Sequence Containing Two Ttaaa Elements (Ncp-TA2)

The structure of Crystal Structure of Nucleosome Core Particle Assembled with An Alpha- Satellite Sequence Containing Two Ttaaa Elements (Ncp-TA2), PDB code: 3uta was solved by E.Y.D.Chua, D.Vasudevan, G.E.Davey, B.Wu, C.A.Davey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	94.13 / 2.07
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	106.510, 109.910, 182.330, 90.00, 90.00, 90.00
R / Rfree (%)	24 / 26.6

The structure of Crystal Structure of Nucleosome Core Particle Assembled with An Alpha- Satellite Sequence Containing Two Ttaaa Elements (Ncp-TA2) also contains other interesting chemical elements:

Manganese

(Mn)

17 atoms

The binding sites of Chlorine atom in the Crystal Structure of Nucleosome Core Particle Assembled with An Alpha- Satellite Sequence Containing Two Ttaaa Elements (Ncp-TA2) (pdb code 3uta). 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 Nucleosome Core Particle Assembled with An Alpha- Satellite Sequence Containing Two Ttaaa Elements (Ncp-TA2), PDB code: 3uta:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Nucleosome Core Particle Assembled with An Alpha- Satellite Sequence Containing Two Ttaaa Elements (Ncp-TA2)


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 Nucleosome Core Particle Assembled with An Alpha- Satellite Sequence Containing Two Ttaaa Elements (Ncp-TA2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2001 b:57.2 occ:1.00 N A:LYS122 3.2 33.9 1.0 CD A:PRO121 3.3 36.0 1.0 CG A:LYS122 3.5 35.2 1.0 N A:PRO121 3.6 35.7 1.0 CB A:LYS122 3.7 34.0 1.0 CB A:MET120 3.8 36.3 1.0 CB A:PRO121 3.8 35.7 1.0 CG A:PRO121 3.9 35.3 1.0 CA A:LYS122 4.0 33.9 1.0 C A:PRO121 4.1 34.6 1.0 CA A:PRO121 4.1 35.0 1.0 CE A:LYS122 4.2 39.1 1.0 CD A:LYS122 4.3 36.9 1.0 C A:MET120 4.3 35.7 1.0 CG A:MET120 4.6 37.6 1.0 CA A:MET120 4.6 36.0 1.0 SD A:MET120 5.0 43.5 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Nucleosome Core Particle Assembled with An Alpha- Satellite Sequence Containing Two Ttaaa Elements (Ncp-TA2)


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 Nucleosome Core Particle Assembled with An Alpha- Satellite Sequence Containing Two Ttaaa Elements (Ncp-TA2) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl2004 b:47.4 occ:1.00 N C:GLY46 3.2 40.3 1.0 N D:SER88 3.3 41.7 1.0 CB D:THR87 3.6 42.1 1.0 CA C:GLY46 3.6 39.1 1.0 N C:ALA47 3.6 37.3 1.0 CA D:THR87 3.6 42.1 1.0 C C:GLY44 3.7 44.5 1.0 CA C:GLY44 3.7 45.4 1.0 N C:ALA45 3.8 43.6 1.0 C C:GLY46 3.9 38.7 1.0 C D:THR87 4.0 42.2 1.0 CB D:SER88 4.1 41.4 1.0 OG D:SER88 4.2 42.5 1.0 OP1 J:DA37 4.2 82.6 1.0 O C:GLY44 4.2 44.5 1.0 CG2 D:THR87 4.2 41.9 1.0 C C:ALA45 4.3 41.3 1.0 CA D:SER88 4.3 41.1 1.0 CA C:ALA47 4.6 36.2 1.0 CA C:ALA45 4.6 42.3 1.0 OG1 D:THR87 4.7 40.6 1.0 CB C:ALA47 4.8 36.7 1.0 N C:GLY44 4.8 46.4 1.0 O C:GLY46 5.0 39.3 1.0 N D:THR87 5.0 42.5 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Nucleosome Core Particle Assembled with An Alpha- Satellite Sequence Containing Two Ttaaa Elements (Ncp-TA2)


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 Nucleosome Core Particle Assembled with An Alpha- Satellite Sequence Containing Two Ttaaa Elements (Ncp-TA2) within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl2002 b:56.7 occ:1.00 N E:LYS122 3.3 29.1 1.0 CG E:LYS122 3.5 33.3 1.0 CB E:LYS122 3.5 30.1 1.0 CD E:PRO121 3.6 29.2 1.0 N E:PRO121 3.8 30.1 1.0 CB E:MET120 3.9 31.8 1.0 CD E:LYS122 3.9 36.5 1.0 CB E:PRO121 3.9 29.9 1.0 CA E:LYS122 4.0 30.2 1.0 CG E:PRO121 4.2 29.5 1.0 C E:PRO121 4.2 29.4 1.0 CA E:PRO121 4.2 29.4 1.0 CE E:MET120 4.3 43.4 1.0 C E:MET120 4.4 30.3 1.0 CA E:MET120 4.7 30.8 1.0 CG E:MET120 4.9 32.4 1.0 SD E:MET120 5.0 42.2 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Nucleosome Core Particle Assembled with An Alpha- Satellite Sequence Containing Two Ttaaa Elements (Ncp-TA2)


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 Nucleosome Core Particle Assembled with An Alpha- Satellite Sequence Containing Two Ttaaa Elements (Ncp-TA2) within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl2003 b:51.0 occ:1.00 N G:GLY46 3.3 48.1 1.0 N H:SER88 3.3 49.3 1.0 N G:ALA47 3.5 45.8 1.0 CA H:THR87 3.6 51.3 1.0 CB H:THR87 3.6 51.4 1.0 C G:GLY44 3.7 51.1 1.0 CA G:GLY44 3.7 51.7 1.0 CA G:GLY46 3.8 47.2 1.0 N G:ALA45 3.8 50.5 1.0 C H:THR87 4.0 50.6 1.0 OP1 I:DT38 4.0 88.3 1.0 C G:GLY46 4.1 46.5 1.0 O G:GLY44 4.1 50.9 1.0 OG H:SER88 4.1 48.2 1.0 CB H:SER88 4.3 48.5 1.0 C G:ALA45 4.4 48.8 1.0 CA H:SER88 4.4 48.0 1.0 CA G:ALA47 4.5 44.5 1.0 CB G:ALA47 4.6 44.3 1.0 CG2 H:THR87 4.6 52.1 1.0 CA G:ALA45 4.6 49.6 1.0 OG1 H:THR87 4.7 52.5 1.0 N G:GLY44 4.7 52.5 1.0 N H:THR87 4.9 51.5 1.0 O H:ILE86 4.9 51.9 1.0

E.Y.D.Chua, D.Vasudevan, G.E.Davey, B.Wu, C.A.Davey. The Mechanics Behind Dna Sequence-Dependent Properties of the Nucleosome Nucleic Acids Res. V. 40 6338 2012.
ISSN: ISSN 0305-1048
PubMed: 22453276
DOI: 10.1093/NAR/GKS261