Barium in PDB 4e7y: Lambda-[Ru(Phen)2(Dppz)]2+ Bound to Ccggatccgg

The structure of Lambda-[Ru(Phen)2(Dppz)]2+ Bound to Ccggatccgg, PDB code: 4e7y 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)	33.74 / 1.70
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	47.720, 47.720, 34.660, 90.00, 90.00, 90.00
R / Rfree (%)	15.5 / 18.8

The structure of Lambda-[Ru(Phen)2(Dppz)]2+ Bound to Ccggatccgg also contains other interesting chemical elements:

Ruthenium

(Ru)

1 atom

The binding sites of Barium atom in the Lambda-[Ru(Phen)2(Dppz)]2+ Bound to Ccggatccgg (pdb code 4e7y). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total only one binding site of Barium was determined in the Lambda-[Ru(Phen)2(Dppz)]2+ Bound to Ccggatccgg, PDB code: 4e7y:

Barium binding site 1 out of 1 in the Lambda-[Ru(Phen)2(Dppz)]2+ Bound to Ccggatccgg


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Lambda-[Ru(Phen)2(Dppz)]2+ Bound to Ccggatccgg within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba102 b:21.1 occ:1.00 O A:HOH201 2.7 26.0 1.0 O A:HOH213 2.8 21.6 1.0 O A:HOH204 2.9 27.1 1.0 O A:HOH208 2.9 22.7 1.0 O6 A:DG4 2.9 18.8 1.0 O A:HOH202 2.9 21.2 1.0 N7 A:DG3 3.0 18.7 1.0 N7 A:DG4 3.1 18.8 1.0 O A:HOH203 3.1 23.2 1.0 C6 A:DG4 3.6 19.1 1.0 C5 A:DG4 3.7 17.4 1.0 C8 A:DG3 3.7 19.7 1.0 C5 A:DG3 4.2 17.6 1.0 C8 A:DG4 4.2 19.7 1.0 O6 A:DG3 4.4 19.5 1.0 O A:HOH251 4.6 22.9 0.5 OP2 A:DG3 4.7 23.6 1.0 C6 A:DG3 4.7 17.8 1.0 O A:HOH205 4.9 26.3 1.0 N1 A:DG4 5.0 19.1 1.0 O A:HOH221 5.0 27.7 1.0 C4 A:DG4 5.0 20.0 1.0

H.Niyazi, J.P.Hall, K.O'sullivan, G.Winter, T.Sorensen, J.M.Kelly, C.J.Cardin. Crystal Structure of Lambda-[Ru(Phen)2(Dppz)]2+ with Oligonucleotides Containing Ta/Ta and at/at Steps Show Two Intercalation Modes. Nat Chem V. 4 621 2012.
ISSN: ESSN 1755-4349
PubMed: 22824893
DOI: 10.1038/NCHEM.1397