Chlorine 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:

Ruthenium	(Ru)	1 atom
Barium	(Ba)	1 atom

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was determined in the [Ru(Tap)2(Dppz-11-Me)]2+ Bound to D(Tcggcgccga), PDB code: 4x18:

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl103 b:16.2 occ:0.66 N9 A:RKM101 3.3 10.0 1.0 C2 A:RKM101 3.4 10.9 1.0 N2 A:RKM101 3.4 10.3 1.0 C30 A:RKM101 3.4 10.7 1.0 C29 A:RKM101 3.5 9.4 1.0 C31 A:RKM101 3.6 10.8 1.0 C3 A:RKM101 3.6 12.6 1.0 C32 A:RKM101 3.7 10.2 1.0 C1 A:RKM101 3.7 10.7 1.0 N10 A:RKM101 3.7 10.6 1.0 H2 A:RKM101 3.8 12.2 1.0 H30 A:RKM101 3.8 10.8 1.0 C4 A:RKM101 3.9 13.0 1.0 C5 A:RKM101 4.0 11.5 1.0 H3 A:RKM101 4.1 12.2 1.0 H31 A:RKM101 4.1 10.8 1.0 C36 A:RKM101 4.2 9.7 1.0 RU A:RKM101 4.4 10.4 1.0 C10 A:RKM101 4.5 10.7 1.0 O A:HOH233 4.5 20.0 1.0 H4 A:RKM101 4.5 12.2 1.0 C33 A:RKM101 4.5 10.3 1.0 N12 A:RKM101 4.6 10.2 1.0 O2 A:DT1 4.9 13.4 1.0 C6 A:RKM101 4.9 12.4 1.0 C35 A:RKM101 4.9 9.7 1.0 N1 A:RKM101 4.9 10.7 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