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

Protein crystallography data

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

Other elements in 3ut9:

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

Chlorine Binding Sites:

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 3ut9

Go back to Chlorine Binding Sites List in 3ut9
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 3ut9

Go back to Chlorine Binding Sites List in 3ut9
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

Reference:

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
Page generated: Sat Dec 12 10:16:01 2020

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