Ruthenium 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:

Chlorine

(Cl)

2 atoms

The binding sites of Ruthenium atom in the Dna Triplex Structure with Polypyridyl Ruthenium Complexes (pdb code 8pip). This binding sites where shown within 5.0 Angstroms radius around Ruthenium atom.
In total 3 binding sites of Ruthenium where determined in the Dna Triplex Structure with Polypyridyl Ruthenium Complexes, PDB code: 8pip:
Jump to Ruthenium binding site number: 1; 2; 3;

Ruthenium binding site 1 out of 3 in the Dna Triplex Structure with Polypyridyl Ruthenium Complexes


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 1 of Dna Triplex Structure with Polypyridyl Ruthenium Complexes within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru101 b:36.4 occ:1.00 RU A:0TN101 0.0 36.4 1.0 N8 A:0TN101 2.1 40.4 1.0 N2 A:0TN101 2.1 32.1 1.0 N9 A:0TN101 2.1 30.4 1.0 N1 A:0TN101 2.1 32.6 1.0 N5 A:0TN101 2.1 32.1 1.0 N12 A:0TN101 2.1 30.6 1.0 C29 A:0TN101 2.8 41.7 1.0 C1 A:0TN101 2.8 28.6 1.0 C10 A:0TN101 2.8 30.6 1.0 C26 A:0TN101 2.8 39.5 1.0 C19 A:0TN101 2.8 39.6 1.0 C36 A:0TN101 2.8 29.5 1.0 C28 A:0TN101 3.0 40.3 1.0 C20 A:0TN101 3.0 35.2 1.0 C2 A:0TN101 3.0 31.2 1.0 C12 A:0TN101 3.0 30.9 1.0 C30 A:0TN101 3.0 45.0 1.0 C38 A:0TN101 3.0 36.8 1.0 H11 A:0TN101 3.2 42.2 1.0 H16 A:0TN101 3.2 48.4 1.0 H1 A:0TN101 3.2 37.4 1.0 H17 A:0TN101 3.2 54.0 1.0 H6 A:0TN101 3.2 37.1 1.0 H22 A:0TN101 3.2 44.1 1.0 C32 A:0TN101 4.2 33.3 1.0 C5 A:0TN101 4.2 27.6 1.0 C25 A:0TN101 4.2 39.5 1.0 C8 A:0TN101 4.2 31.8 1.0 C22 A:0TN101 4.2 36.4 1.0 C35 A:0TN101 4.2 32.5 1.0 H12 A:0TN102 4.3 55.3 1.0 C27 A:0TN101 4.3 41.6 1.0 C3 A:0TN101 4.3 36.4 1.0 C31 A:0TN101 4.3 35.1 1.0 C11 A:0TN101 4.3 37.5 1.0 C21 A:0TN101 4.3 36.2 1.0 C37 A:0TN101 4.3 30.4 1.0 H23 A:0TN102 4.7 58.3 1.0 C43 A:0TN101 4.8 36.9 1.0 C42 A:0TN101 4.8 36.9 1.0 C9 A:0TN101 4.8 34.6 1.0 C4 A:0TN101 4.8 26.7 1.0 C41 A:0TN101 4.8 39.0 1.0 C44 A:0TN101 4.8 25.1 1.0 C21 A:0TN102 4.9 46.0 1.0

Ruthenium binding site 2 out of 3 in the Dna Triplex Structure with Polypyridyl Ruthenium Complexes


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 2 of Dna Triplex Structure with Polypyridyl Ruthenium Complexes within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru102 b:43.6 occ:1.00 RU A:0TN102 0.0 43.6 1.0 N1 A:0TN102 2.1 20.1 1.0 N2 A:0TN102 2.1 41.4 1.0 N8 A:0TN102 2.1 45.5 1.0 N5 A:0TN102 2.1 36.9 1.0 N9 A:0TN102 2.1 30.1 1.0 N12 A:0TN102 2.1 44.8 1.0 C29 A:0TN102 2.8 46.4 1.0 C19 A:0TN102 2.8 45.0 1.0 C26 A:0TN102 2.8 42.3 1.0 C36 A:0TN102 2.8 35.2 1.0 C10 A:0TN102 2.8 29.3 1.0 C1 A:0TN102 2.8 35.1 1.0 C20 A:0TN102 3.0 37.0 1.0 C12 A:0TN102 3.0 38.6 1.0 C28 A:0TN102 3.0 48.4 1.0 C2 A:0TN102 3.0 39.4 1.0 C30 A:0TN102 3.0 43.5 1.0 C38 A:0TN102 3.0 44.0 1.0 H11 A:0TN102 3.2 44.4 1.0 H6 A:0TN102 3.2 46.3 1.0 H16 A:0TN102 3.2 58.1 1.0 H1 A:0TN102 3.2 47.3 1.0 H22 A:0TN102 3.2 52.8 1.0 H17 A:0TN102 3.2 52.1 1.0 C25 A:0TN102 4.2 48.7 1.0 C22 A:0TN102 4.2 46.9 1.0 C32 A:0TN102 4.2 44.2 1.0 C35 A:0TN102 4.2 47.9 1.0 C8 A:0TN102 4.2 33.2 1.0 C5 A:0TN102 4.2 31.0 1.0 C21 A:0TN102 4.3 46.0 1.0 C11 A:0TN102 4.3 34.7 1.0 C27 A:0TN102 4.3 43.3 1.0 C31 A:0TN102 4.3 44.2 1.0 C3 A:0TN102 4.3 37.3 1.0 C37 A:0TN102 4.3 47.7 1.0 H12 A:0TN101 4.5 43.5 1.0 C41 A:0TN102 4.8 48.6 1.0 C42 A:0TN102 4.8 49.4 1.0 C9 A:0TN102 4.8 37.3 1.0 C44 A:0TN102 4.8 34.1 1.0 C43 A:0TN102 4.8 45.0 1.0 C4 A:0TN102 4.8 31.6 1.0 H2 A:DA5 4.8 48.6 1.0 H23 A:0TN101 4.8 46.8 1.0 O2 A:DT16 4.9 47.7 0.7

Ruthenium binding site 3 out of 3 in the Dna Triplex Structure with Polypyridyl Ruthenium Complexes


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 3 of Dna Triplex Structure with Polypyridyl Ruthenium Complexes within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru103 b:34.2 occ:1.00 RU A:RKP103 0.0 34.2 1.0 N2 A:RKP103 2.1 27.7 1.0 N9 A:RKP103 2.1 29.2 1.0 N5 A:RKP103 2.1 31.2 1.0 N8 A:RKP103 2.1 16.5 1.0 N12 A:RKP103 2.1 31.6 1.0 N1 A:RKP103 2.1 26.2 1.0 C26 A:RKP103 2.8 29.0 1.0 C19 A:RKP103 2.8 36.3 1.0 C1 A:RKP103 2.8 25.7 1.0 C29 A:RKP103 2.8 31.0 1.0 C10 A:RKP103 2.8 31.7 1.0 C36 A:RKP103 2.8 31.5 1.0 C2 A:RKP103 3.0 28.1 1.0 C28 A:RKP103 3.0 39.2 1.0 C30 A:RKP103 3.0 35.0 1.0 C20 A:RKP103 3.0 35.7 1.0 C38 A:RKP103 3.0 41.7 1.0 C12 A:RKP103 3.0 33.4 1.0 H2 A:RKP103 3.2 33.7 1.0 H30 A:RKP103 3.2 42.0 1.0 H28 A:RKP103 3.2 47.1 1.0 H38 A:RKP103 3.2 50.1 1.0 H20 A:RKP103 3.2 42.9 1.0 H12 A:RKP103 3.2 40.1 1.0 C25 A:RKP103 4.2 41.2 1.0 C22 A:RKP103 4.2 36.5 1.0 C5 A:RKP103 4.2 29.4 1.0 C32 A:RKP103 4.2 38.4 1.0 C35 A:RKP103 4.2 44.5 1.0 C8 A:RKP103 4.2 27.4 1.0 C3 A:RKP103 4.3 23.4 1.0 C27 A:RKP103 4.3 33.3 1.0 C31 A:RKP103 4.3 35.8 1.0 C21 A:RKP103 4.3 41.6 1.0 C11 A:RKP103 4.3 38.4 1.0 C37 A:RKP103 4.3 38.9 1.0 H1' A:DA22 4.5 50.6 1.0 N3 A:DA22 4.7 31.0 1.0 C42 A:RKP103 4.8 40.2 1.0 C4 A:RKP103 4.8 26.2 1.0 C43 A:RKP103 4.8 36.5 1.0 C41 A:RKP103 4.8 34.2 1.0 C44 A:RKP103 4.8 44.0 1.0 C9 A:RKP103 4.8 26.1 1.0

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