Chlorine in PDB 3ut9: Crystal Structure of Nucleosome Core Particle Assembled with A Palindromic Widom '601' Derivative (Ncp-601L)

The structure of Crystal Structure of Nucleosome Core Particle Assembled with A Palindromic Widom '601' Derivative (Ncp-601L), PDB code: 3ut9 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)	42.55 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	106.494, 109.533, 174.822, 90.00, 90.00, 90.00
R / Rfree (%)	25.7 / 28.9

The structure of Crystal Structure of Nucleosome Core Particle Assembled with A Palindromic Widom '601' Derivative (Ncp-601L) also contains other interesting chemical elements:

Potassium	(K)	2 atoms
Manganese	(Mn)	29 atoms

The binding sites of Chlorine atom in the Crystal Structure of Nucleosome Core Particle Assembled with A Palindromic Widom '601' Derivative (Ncp-601L) (pdb code 3ut9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Nucleosome Core Particle Assembled with A Palindromic Widom '601' Derivative (Ncp-601L), PDB code: 3ut9:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Nucleosome Core Particle Assembled with A Palindromic Widom '601' Derivative (Ncp-601L)


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 A Palindromic Widom '601' Derivative (Ncp-601L) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1102 b:67.3 occ:1.00 N C:GLY46 3.0 62.2 1.0 N D:SER88 3.5 64.6 1.0 CA C:GLY46 3.5 61.3 1.0 CB D:THR87 3.6 64.8 1.0 CA D:THR87 3.6 64.9 1.0 N C:ALA45 3.6 65.7 1.0 CA C:GLY44 3.7 67.1 1.0 C C:GLY44 3.7 66.5 1.0 N C:ALA47 3.7 59.7 1.0 OG D:SER88 3.9 65.0 1.0 OP1 J:DG38 4.0 0.5 1.0 CG2 D:THR87 4.0 64.4 1.0 C D:THR87 4.1 64.9 1.0 C C:GLY46 4.1 60.6 1.0 C C:ALA45 4.2 63.3 1.0 CB D:SER88 4.4 64.5 1.0 O C:GLY44 4.4 67.2 1.0 CA C:ALA45 4.4 64.3 1.0 CA D:SER88 4.6 63.8 1.0 N C:GLY44 4.8 68.3 1.0 CA C:ALA47 4.8 57.8 1.0 OG1 D:THR87 4.9 64.7 1.0 N D:THR87 4.9 65.6 1.0 MN J:MN1029 4.9 0.4 1.0 O D:ILE86 4.9 65.8 1.0 CB C:ALA47 4.9 58.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Nucleosome Core Particle Assembled with A Palindromic Widom '601' Derivative (Ncp-601L)


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 A Palindromic Widom '601' Derivative (Ncp-601L) within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl1101 b:66.3 occ:1.00 N H:SER88 3.3 64.0 1.0 N G:GLY46 3.3 66.2 1.0 CB H:THR87 3.6 64.5 1.0 CA H:THR87 3.6 64.8 1.0 CA G:GLY44 3.6 69.3 1.0 N G:ALA47 3.6 64.7 1.0 N G:ALA45 3.7 68.6 1.0 CA G:GLY46 3.7 65.4 1.0 C G:GLY44 3.8 69.0 1.0 C H:THR87 3.9 64.5 1.0 OG H:SER88 4.1 63.3 1.0 C G:GLY46 4.1 65.1 1.0 CB H:SER88 4.2 63.5 1.0 OP1 I:DG38 4.2 0.3 1.0 CG2 H:THR87 4.3 64.1 1.0 CA H:SER88 4.3 63.0 1.0 C G:ALA45 4.3 66.9 1.0 O G:GLY44 4.5 68.8 1.0 CA G:ALA47 4.6 63.3 1.0 CA G:ALA45 4.6 67.7 1.0 CB G:ALA47 4.6 63.4 1.0 N G:GLY44 4.7 70.1 1.0 OG1 H:THR87 4.7 64.1 1.0 N H:THR87 4.9 65.4 1.0 O H:ILE86 5.0 65.9 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