Chlorine in PDB 4e8s: Lambda-[Ru(Tap)2(Dppz{ME2}2)]2+ Bound to Tcggcgccga at High Resolution

The structure of Lambda-[Ru(Tap)2(Dppz{ME2}2)]2+ Bound to Tcggcgccga at High Resolution, PDB code: 4e8s 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)	29.98 / 1.24
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	42.400, 42.400, 39.670, 90.00, 90.00, 90.00
R / Rfree (%)	10.3 / 12.9

The structure of Lambda-[Ru(Tap)2(Dppz{ME2}2)]2+ Bound to Tcggcgccga at High Resolution also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the Lambda-[Ru(Tap)2(Dppz{ME2}2)]2+ Bound to Tcggcgccga at High Resolution (pdb code 4e8s). 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 Lambda-[Ru(Tap)2(Dppz{ME2}2)]2+ Bound to Tcggcgccga at High Resolution, PDB code: 4e8s:

Chlorine binding site 1 out of 1 in the Lambda-[Ru(Tap)2(Dppz{ME2}2)]2+ Bound to Tcggcgccga at High Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Lambda-[Ru(Tap)2(Dppz{ME2}2)]2+ Bound to Tcggcgccga at High Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl103 b:19.3 occ:0.80 N2 A:DG3 3.5 10.1 1.0 O A:HOH206 4.5 20.6 1.0 C2 A:DG3 4.6 9.1 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