Chlorine in PDB 8pip: Dna Triplex Structure with Polypyridyl Ruthenium Complexes

The structure of Dna Triplex Structure with Polypyridyl Ruthenium Complexes, PDB code: 8pip was solved by A.Abdullrahman, C.J.Cardin, J.P.Hall, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.34 / 2.00
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	37.464, 86.151, 87.852, 90, 90, 90
R / Rfree (%)	22.9 / 25.9

The structure of Dna Triplex Structure with Polypyridyl Ruthenium Complexes also contains other interesting chemical elements:

Ruthenium

(Ru)

3 atoms

The binding sites of Chlorine atom in the Dna Triplex Structure with Polypyridyl Ruthenium Complexes (pdb code 8pip). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Dna Triplex Structure with Polypyridyl Ruthenium Complexes, PDB code: 8pip:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Dna Triplex Structure with Polypyridyl Ruthenium Complexes


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Dna Triplex Structure with Polypyridyl Ruthenium Complexes within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl104 b:52.0 occ:1.00 O4' A:DT25 2.8 40.5 1.0 H2 A:DA24 2.9 34.3 1.0 N3 A:DA24 2.9 29.0 1.0 O2 A:DT25 3.2 35.8 1.0 C2 A:DT25 3.3 34.6 1.0 C2 A:DA24 3.3 28.6 1.0 N1 A:DT25 3.4 34.1 1.0 C1' A:DT25 3.5 36.3 1.0 H1' A:DT25 3.5 43.5 1.0 H1' A:DA24 3.6 45.8 1.0 N3 A:DT25 4.0 37.6 1.0 C4' A:DT25 4.0 41.4 1.0 H4' A:DT25 4.0 49.6 1.0 C4 A:DA24 4.1 30.0 1.0 C6 A:DT25 4.2 38.1 1.0 H5' A:DT25 4.2 45.5 1.0 H3 A:DT25 4.3 45.1 1.0 C1' A:DA24 4.5 38.2 1.0 H6 A:DT25 4.6 45.8 1.0 N1 A:DA24 4.6 36.2 1.0 C5' A:DT25 4.7 37.9 1.0 C4 A:DT25 4.7 31.8 1.0 N9 A:DA24 4.8 31.5 1.0 C5 A:DT25 4.8 31.1 1.0 C2' A:DT25 4.9 44.8 1.0

Chlorine binding site 2 out of 2 in the Dna Triplex Structure with Polypyridyl Ruthenium Complexes


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Dna Triplex Structure with Polypyridyl Ruthenium Complexes within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl105 b:46.9 occ:0.53 H23 A:0TN102 2.7 58.3 1.0 H6 A:0TN101 2.7 37.1 1.0 O A:HOH222 2.9 48.9 1.0 H5 A:0TN101 3.1 45.0 1.0 H13 A:0TN102 3.5 59.6 1.0 C12 A:0TN101 3.5 30.9 1.0 C11 A:0TN101 3.7 37.5 1.0 C41 A:0TN102 3.7 48.6 1.0 C25 A:0TN101 3.9 39.5 1.0 C42 A:0TN101 3.9 36.9 1.0 C26 A:0TN101 4.1 39.5 1.0 C27 A:0TN101 4.2 41.6 1.0 H24 A:0TN101 4.2 44.2 1.0 C23 A:0TN102 4.3 49.7 1.0 C24 A:0TN101 4.3 40.5 1.0 N8 A:0TN101 4.4 40.4 1.0 C28 A:0TN101 4.4 40.3 1.0 C22 A:0TN102 4.5 46.9 1.0 H14 A:0TN101 4.6 48.6 1.0 H12 A:0TN102 4.6 55.3 1.0 C21 A:0TN102 4.7 46.0 1.0 N1 A:0TN101 4.7 32.6 1.0 H15 A:0TN101 4.7 49.9 1.0 OP1 A:DT18 4.7 43.2 1.0 C19 A:0TN101 4.8 39.6 1.0 C23 A:0TN101 4.9 43.3 1.0

A.Abdullrahman, K.Mcquaid, C.J.Cardin, J.P.Hall. Dna Triplex Structure with Bound Ruthenium Polypyridyl Complexes To Be Published.