Ruthenium in PDB 6rso: L-[Ru(Tap)2(Dppz)]2+ Bound to the G-Quadruplex Forming Sequence D(Tagggtt)

The structure of L-[Ru(Tap)2(Dppz)]2+ Bound to the G-Quadruplex Forming Sequence D(Tagggtt), PDB code: 6rso was solved by K.T.Mcquaid, J.P.Hall, C.J.Cardin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.40 / 1.97
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	46.730, 46.730, 31.990, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 24.7

The structure of L-[Ru(Tap)2(Dppz)]2+ Bound to the G-Quadruplex Forming Sequence D(Tagggtt) also contains other interesting chemical elements:

Barium

(Ba)

2 atoms

The binding sites of Ruthenium atom in the L-[Ru(Tap)2(Dppz)]2+ Bound to the G-Quadruplex Forming Sequence D(Tagggtt) (pdb code 6rso). This binding sites where shown within 5.0 Angstroms radius around Ruthenium atom.
In total 2 binding sites of Ruthenium where determined in the L-[Ru(Tap)2(Dppz)]2+ Bound to the G-Quadruplex Forming Sequence D(Tagggtt), PDB code: 6rso:
Jump to Ruthenium binding site number: 1; 2;

Ruthenium binding site 1 out of 2 in the L-[Ru(Tap)2(Dppz)]2+ Bound to the G-Quadruplex Forming Sequence D(Tagggtt)


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 1 of L-[Ru(Tap)2(Dppz)]2+ Bound to the G-Quadruplex Forming Sequence D(Tagggtt) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru102 b:57.3 occ:1.00 RU A:KHN102 0.0 57.3 1.0 N24 A:KHN102 2.0 57.3 1.0 N15 A:KHN102 2.0 55.8 1.0 N20 A:KHN102 2.0 66.8 1.0 N38 A:KHN102 2.0 52.4 1.0 N37 A:KHN102 2.0 48.6 1.0 N48 A:KHN102 2.0 61.2 1.0 C28 A:KHN102 2.7 55.2 1.0 C36 A:KHN102 2.8 49.9 1.0 C16 A:KHN102 2.8 60.2 1.0 C17 A:KHN102 2.8 62.8 1.0 C43 A:KHN102 2.8 54.9 1.0 C47 A:KHN102 2.8 57.8 1.0 C39 A:KHN102 3.1 52.0 1.0 C25 A:KHN102 3.1 57.0 1.0 C21 A:KHN102 3.1 71.4 1.0 C14 A:KHN102 3.1 56.6 1.0 C35 A:KHN102 3.1 60.6 1.0 C51 A:KHN102 3.1 65.0 1.0 H70 A:KHN102 3.2 62.4 1.0 H78 A:KHN102 3.2 85.7 1.0 H58 A:KHN102 3.2 68.5 1.0 H56 A:KHN102 3.2 68.0 1.0 H65 A:KHN102 3.3 72.7 1.0 H77 A:KHN102 3.3 78.1 1.0 C11 A:KHN102 4.1 72.5 1.0 C18 A:KHN102 4.1 68.8 1.0 C29 A:KHN102 4.1 55.0 1.0 C32 A:KHN102 4.1 55.7 1.0 C42 A:KHN102 4.2 63.6 1.0 C46 A:KHN102 4.2 65.1 1.0 C40 A:KHN102 4.2 54.5 1.0 C26 A:KHN102 4.2 66.8 1.0 C22 A:KHN102 4.3 76.3 1.0 C13 A:KHN102 4.3 66.7 1.0 C34 A:KHN102 4.3 57.9 1.0 C50 A:KHN102 4.3 64.2 1.0 C27 A:KHN102 4.7 58.6 1.0 O2 B:DC2 4.7 54.8 1.0 C12 A:KHN102 4.7 60.8 1.0 C41 A:KHN102 4.7 61.2 1.0 C23 A:KHN102 4.7 69.3 1.0 C33 A:KHN102 4.7 55.0 1.0 N2 A:DG9 4.7 76.2 1.0 C49 A:KHN102 4.7 65.0 1.0 O4' B:DC2 4.9 64.1 1.0

Ruthenium binding site 2 out of 2 in the L-[Ru(Tap)2(Dppz)]2+ Bound to the G-Quadruplex Forming Sequence D(Tagggtt)


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 2 of L-[Ru(Tap)2(Dppz)]2+ Bound to the G-Quadruplex Forming Sequence D(Tagggtt) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ru102 b:55.4 occ:1.00 RU B:KHN102 0.0 55.4 1.0 N24 B:KHN102 2.0 48.9 1.0 N15 B:KHN102 2.0 54.5 1.0 N20 B:KHN102 2.0 65.4 1.0 N38 B:KHN102 2.0 53.8 1.0 N37 B:KHN102 2.0 51.7 1.0 N48 B:KHN102 2.0 60.2 1.0 C28 B:KHN102 2.8 52.1 1.0 C16 B:KHN102 2.8 58.4 1.0 C43 B:KHN102 2.8 53.8 1.0 C36 B:KHN102 2.8 51.8 1.0 C17 B:KHN102 2.8 61.5 1.0 C47 B:KHN102 2.8 55.6 1.0 C39 B:KHN102 3.1 53.5 1.0 C25 B:KHN102 3.1 54.9 1.0 C14 B:KHN102 3.1 61.9 1.0 C21 B:KHN102 3.1 74.2 1.0 C51 B:KHN102 3.1 69.7 1.0 C35 B:KHN102 3.1 64.3 1.0 H70 B:KHN102 3.2 64.2 1.0 H58 B:KHN102 3.2 65.9 1.0 H78 B:KHN102 3.2 89.1 1.0 H56 B:KHN102 3.2 74.3 1.0 H77 B:KHN102 3.3 83.7 1.0 H65 B:KHN102 3.3 77.3 1.0 C11 B:KHN102 4.1 72.9 1.0 C18 B:KHN102 4.1 71.1 1.0 C29 B:KHN102 4.1 51.6 1.0 C42 B:KHN102 4.1 64.3 1.0 C32 B:KHN102 4.2 55.6 1.0 C46 B:KHN102 4.2 66.7 1.0 C40 B:KHN102 4.2 59.1 1.0 C26 B:KHN102 4.2 65.0 1.0 C13 B:KHN102 4.3 67.5 1.0 C22 B:KHN102 4.3 80.3 1.0 C50 B:KHN102 4.3 66.5 1.0 C34 B:KHN102 4.3 61.4 1.0 O2 A:DC2 4.6 56.5 1.0 C27 B:KHN102 4.7 62.9 1.0 C41 B:KHN102 4.7 64.2 1.0 C12 B:KHN102 4.7 61.3 1.0 C23 B:KHN102 4.7 70.5 1.0 N2 B:DG9 4.7 73.4 1.0 C33 B:KHN102 4.7 58.6 1.0 C49 B:KHN102 4.7 65.4 1.0 O4' A:DC2 4.9 60.2 1.0

K.T.Mcquaid, J.P.Hall, C.J.Cardin. Structure of [Ru(Phen)2(10-NO2-Dppz)]2+ Bound to the Dna Sequence D(Tcggcgccga) To Be Published.