Ruthenium in PDB 4x18: [Ru(Tap)2(Dppz-11-Me)]2+ Bound to D(Tcggcgccga)

The structure of [Ru(Tap)2(Dppz-11-Me)]2+ Bound to D(Tcggcgccga), PDB code: 4x18 was solved by 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)	28.70 / 1.05
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	42.160, 42.160, 39.170, 90.00, 90.00, 90.00
R / Rfree (%)	9.6 / 10.5

The structure of [Ru(Tap)2(Dppz-11-Me)]2+ Bound to D(Tcggcgccga) also contains other interesting chemical elements:

Barium	(Ba)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Ruthenium atom in the [Ru(Tap)2(Dppz-11-Me)]2+ Bound to D(Tcggcgccga) (pdb code 4x18). This binding sites where shown within 5.0 Angstroms radius around Ruthenium atom.
In total only one binding site of Ruthenium was determined in the [Ru(Tap)2(Dppz-11-Me)]2+ Bound to D(Tcggcgccga), PDB code: 4x18:

Ruthenium binding site 1 out of 1 in the [Ru(Tap)2(Dppz-11-Me)]2+ Bound to D(Tcggcgccga)


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 1 of [Ru(Tap)2(Dppz-11-Me)]2+ Bound to D(Tcggcgccga) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru101 b:10.4 occ:1.00 RU A:RKM101 0.0 10.4 1.0 N5 A:RKM101 2.0 11.6 1.0 N9 A:RKM101 2.0 10.0 1.0 N8 A:RKM101 2.0 10.9 1.0 N2 A:RKM101 2.0 10.3 1.0 N1 A:RKM101 2.0 10.7 1.0 N12 A:RKM101 2.1 10.2 1.0 C26 A:RKM101 2.8 11.9 1.0 C19 A:RKM101 2.8 12.6 1.0 C29 A:RKM101 2.8 9.4 1.0 C10 A:RKM101 2.9 10.7 1.0 C36 A:RKM101 2.9 9.7 1.0 C1 A:RKM101 2.9 10.7 1.0 C30 A:RKM101 3.1 10.7 1.0 C28 A:RKM101 3.1 11.5 1.0 C12 A:RKM101 3.1 11.6 1.0 C2 A:RKM101 3.1 10.9 1.0 C38 A:RKM101 3.1 10.3 1.0 C20 A:RKM101 3.1 13.5 1.0 H2 A:RKM101 3.2 12.2 1.0 H12 A:RKM101 3.2 14.1 1.0 H30 A:RKM101 3.2 10.8 1.0 H28 A:RKM101 3.3 11.9 1.0 H38 A:RKM101 3.3 10.5 1.0 H20 A:RKM101 3.3 13.8 1.0 C25 A:RKM101 4.2 12.8 1.0 C35 A:RKM101 4.2 9.7 1.0 C32 A:RKM101 4.2 10.2 1.0 C22 A:RKM101 4.2 13.5 1.0 C8 A:RKM101 4.2 11.5 1.0 C5 A:RKM101 4.2 11.5 1.0 C11 A:RKM101 4.3 11.8 1.0 C31 A:RKM101 4.4 10.8 1.0 C3 A:RKM101 4.4 12.6 1.0 C27 A:RKM101 4.4 12.5 1.0 C37 A:RKM101 4.4 11.0 1.0 C21 A:RKM101 4.4 14.5 1.0 CL A:CL103 4.4 16.2 0.7 O A:HOH225 4.6 12.6 1.0 O2 A:DC2 4.8 11.8 1.0 O A:HOH261 4.8 33.5 1.0 C4 A:RKM101 4.8 13.0 1.0 N7 A:RKM101 4.8 13.7 1.0 C9 A:RKM101 4.8 12.4 1.0 N6 A:RKM101 4.9 14.5 1.0 N10 A:RKM101 4.9 10.6 1.0 N11 A:RKM101 4.9 10.6 1.0

J.P.Hall, H.Beer, K.Buchner, D.J.Cardin, C.J.Cardin. The Structural Effect of Methyl Substitution on the Binding of Polypyridyl Ru-Dppz Complexes to Dna Organometallics 2015.
ISSN: ISSN 0276-7333
DOI: 10.1021/OM501208X