Barium in the structure of Crystal Form 2 of A Chiral Ruthenium Complex Bound to Dna (pdb 3s80)

The binding sites of Barium atom in the structure of Crystal Form 2 of A Chiral Ruthenium Complex Bound to Dna (pdb code 3s80). This binding sites where shown with 5.0 Angstroms radius around Barium atom.
The 3s80 structure was solved by C.J.CARDIN, J.P.HALL, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)14.8-1.9
Space groupP43212
a (A)44.348
b (A)44.348
c (A)27.203
alpha (°)90.00
beta (°)90.00
gamma (°)90.00
Rfactor (%)17.3
Rfree (%)26.5

Barium Binding Sites:

Barium binding site 1 out of 1 in 3s80


Barium binding site 1 out of 1 in 3s80
Click to enlarge
stereopicture of Barium binding site 1 out of 1 in 3s80
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Barium in the PDB 3s80. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Barium atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Dg3, A: Dg4, A: Dc5, A: Cl13, A: Hoh28, A: Hoh33, A: Hoh34, A: Hoh36, A: Hoh52,

conact list:


AtomAtomDistance (A)
BaN9 A:Dg34.96
BaC8 A:Dg33.71
BaC6 A:Dg34.66
BaC5 A:Dg34.12
BaN7 A:Dg33.01
BaOP2 A:Dg34.63
BaO6 A:Dg34.42
BaC8 A:Dg44.37
BaC6 A:Dg43.71
BaC5 A:Dg43.80
BaN7 A:Dg43.21
BaO6 A:Dg42.99
BaN4 A:Dc54.99
BaCL A:Cl133.19
BaO A:Hoh283.11
BaO A:Hoh333.12
BaO A:Hoh342.64
BaO A:Hoh362.64
BaO A:Hoh523.07

interactive model:




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