Barium in PDB 3u38: Intercalation of Lambda-[Ru(Phen)2(Dppz)]2+ Into D(Ccggtaccgg)2

The structure of Intercalation of Lambda-[Ru(Phen)2(Dppz)]2+ Into D(Ccggtaccgg)2, PDB code: 3u38 was solved by C.J.Cardin, J.P.Hall, H.Niyazi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.86 / 2.13
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	52.560, 52.560, 32.430, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 23.2

The structure of Intercalation of Lambda-[Ru(Phen)2(Dppz)]2+ Into D(Ccggtaccgg)2 also contains other interesting chemical elements:

Ruthenium

(Ru)

2 atoms

The binding sites of Barium atom in the Intercalation of Lambda-[Ru(Phen)2(Dppz)]2+ Into D(Ccggtaccgg)2 (pdb code 3u38). 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 Intercalation of Lambda-[Ru(Phen)2(Dppz)]2+ Into D(Ccggtaccgg)2, PDB code: 3u38:

Barium binding site 1 out of 1 in the Intercalation of Lambda-[Ru(Phen)2(Dppz)]2+ Into D(Ccggtaccgg)2


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Intercalation of Lambda-[Ru(Phen)2(Dppz)]2+ Into D(Ccggtaccgg)2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba103 b:37.2 occ:1.00 O A:HOH212 2.7 47.0 1.0 O A:HOH203 2.8 47.7 1.0 O6 A:DG4 2.8 40.9 1.0 O A:HOH202 2.8 38.0 1.0 O A:HOH201 2.9 47.3 1.0 O A:HOH205 2.9 35.1 1.0 N7 A:DG3 3.0 38.3 1.0 N7 A:DG4 3.0 41.9 1.0 O4 A:DT5 3.0 36.9 1.0 C6 A:DG4 3.5 33.9 1.0 C5 A:DG4 3.6 33.7 1.0 C8 A:DG3 3.7 35.5 1.0 C4 A:DT5 3.9 33.1 1.0 C5 A:DG3 4.1 31.1 1.0 C8 A:DG4 4.2 31.2 1.0 O6 A:DG3 4.4 32.2 1.0 C7 A:DT5 4.5 29.6 1.0 OP2 A:DG3 4.6 43.2 1.0 C5 A:DT5 4.6 32.0 1.0 C6 A:DG3 4.7 32.0 1.0 N3 A:DT5 4.8 33.2 1.0 N1 A:DG4 4.9 30.0 1.0 C4 A:DG4 4.9 32.5 1.0 N9 A:DG3 4.9 36.1 1.0

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