Barium in PDB 5iwj: Lambda-[Ru(Tap)2(Dppz)]2+ Bound to D(Ccgggcccgg

The structure of Lambda-[Ru(Tap)2(Dppz)]2+ Bound to D(Ccgggcccgg, PDB code: 5iwj was solved by J.E.Souter, 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)	28.00 / 1.88
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	46.783, 46.783, 34.948, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 27.7

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

Ruthenium

(Ru)

1 atom

The binding sites of Barium atom in the Lambda-[Ru(Tap)2(Dppz)]2+ Bound to D(Ccgggcccgg (pdb code 5iwj). 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(Tap)2(Dppz)]2+ Bound to D(Ccgggcccgg, PDB code: 5iwj:

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


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Lambda-[Ru(Tap)2(Dppz)]2+ Bound to D(Ccgggcccgg within 5.0Å range: probe atom residue distance (Å) B Occ C:Ba101 b:45.7 occ:1.00 O C:HOH229 2.5 60.1 1.0 O C:HOH215 2.7 45.8 1.0 O C:HOH209 2.7 44.8 1.0 O C:HOH206 2.7 47.8 1.0 O6 C:DG4 2.9 42.1 1.0 N7 C:DG4 3.0 49.5 1.0 N7 C:DG3 3.0 46.5 1.0 O C:HOH208 3.1 45.2 1.0 C6 C:DG4 3.6 45.0 1.0 C5 C:DG4 3.6 44.6 1.0 C8 C:DG3 3.7 45.9 1.0 C8 C:DG4 4.2 47.5 1.0 C5 C:DG3 4.2 45.4 1.0 O6 C:DG3 4.5 43.4 1.0 OP2 C:DG3 4.7 47.4 1.0 C6 C:DG3 4.8 44.2 1.0 N1 C:DG4 4.9 44.5 1.0 C4 C:DG4 4.9 46.9 1.0

J.E.Souter, J.P.Hall, S.P.Gurung, J.A.Brazier, C.J.Cardin. The Binding Specificity of RUTAP2DPPZ To Be Published.