Barium in PDB 3uyb: X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz)]2+ Bound to D(Tcggtaccga)

The structure of X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz)]2+ Bound to D(Tcggtaccga), PDB code: 3uyb was solved by H.N.Niyazi, S.C.M.Texeira, E.P.Mitchell, J.C.Cardin, V.T.Forsyth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.45 / 1.50
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	54.376, 54.376, 28.995, 90.00, 90.00, 90.00
R / Rfree (%)	12.7 / 16.7

The structure of X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz)]2+ Bound to D(Tcggtaccga) also contains other interesting chemical elements:

Ruthenium

(Ru)

2 atoms

The binding sites of Barium atom in the X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz)]2+ Bound to D(Tcggtaccga) (pdb code 3uyb). 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 X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz)]2+ Bound to D(Tcggtaccga), PDB code: 3uyb:

Barium binding site 1 out of 1 in the X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz)]2+ Bound to D(Tcggtaccga)


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz)]2+ Bound to D(Tcggtaccga) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba13 b:15.3 occ:1.00 O A:HOH20 2.8 15.3 1.0 O A:HOH28 2.8 18.7 1.0 O6 A:DG4 2.8 14.8 1.0 O4 A:DT5 2.9 16.1 1.0 O A:HOH45 2.9 17.1 1.0 O A:HOH49 2.9 17.4 1.0 O A:HOH35 2.9 22.0 1.0 N7 A:DG3 3.0 14.7 1.0 N7 A:DG4 3.0 14.0 1.0 C6 A:DG4 3.5 12.2 1.0 C5 A:DG4 3.6 13.3 1.0 C8 A:DG3 3.6 14.9 1.0 C4 A:DT5 3.8 16.1 1.0 C5 A:DG3 4.2 13.0 1.0 C8 A:DG4 4.2 14.0 1.0 C7 A:DT5 4.3 17.4 1.0 C5 A:DT5 4.5 16.0 1.0 OP2 A:DG3 4.5 15.7 1.0 O6 A:DG3 4.6 14.5 1.0 N3 A:DT5 4.8 15.4 1.0 O A:HOH30 4.8 30.0 1.0 C6 A:DG3 4.8 14.8 1.0 N1 A:DG4 4.9 14.4 1.0 C4 A:DG4 4.9 14.3 1.0 N9 A:DG3 4.9 13.8 1.0 O A:HOH26 4.9 31.6 1.0

H.N.Niyazi, K.O'sullivan, S.C.M.Texeira, E.P.Mitchell, J.M.Kelly, J.C.Cardin, V.T.Forsyth. Crystal Structure of Lambda-[Ru(Tap)2(Dppz)]2+ with D(Tcggtaccga)2 Displaying Kinking of Dna Via Semiintercalation. To Be Published.