Chemical elements
  Barium
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    Detection of Barrium
    PDB 1djh-3iqp
    PDB 3iqr-4e7y
      3iqr
      3lr4
      3nkv
      3ns4
      3oxj
      3p4b
      3s80
      3u38
      3v61
      3vg5
      3vg6
      439d
      4aeb
      4aob
      4e1u
      4e7y

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






The binding sites of Barium atom in the structure of Intercalation of Lambda-[Ru(Phen)2(Dppz)]2+ Into D(Ccggtaccgg)2 (pdb code 3u38). This binding sites where shown with 5.0 Angstroms radius around Barium atom.
The 3u38 structure was solved by C.J.CARDIN, J.P.HALL, H.NIYAZI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)14.9-2.1
Space groupP43212
a (A)52.560
b (A)52.560
c (A)32.430
alpha (°)90.00
beta (°)90.00
gamma (°)90.00
Rfactor (%)17.6
Rfree (%)23.2


Barium Binding Sites:

Barium binding site 1 out of 1 in 3u38


Barium binding site 1 out of 1 in 3u38
Click to enlarge
stereopicture of Barium binding site 1 out of 1 in 3u38
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Barium in the PDB 3u38. 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: Dt5, A: Hoh201, A: Hoh202, A: Hoh203, A: Hoh205, A: Hoh212,

conact list:


AtomAtomDistance (A)
BaN9 A:Dg34.93
BaC8 A:Dg33.66
BaC6 A:Dg34.67
BaC5 A:Dg34.10
BaN7 A:Dg32.96
BaOP2 A:Dg34.61
BaO6 A:Dg34.43
BaC8 A:Dg44.17
BaC6 A:Dg43.51
BaN1 A:Dg44.87
BaC5 A:Dg43.57
BaN7 A:Dg42.98
BaC4 A:Dg44.90
BaO6 A:Dg42.84
BaN3 A:Dt54.81
BaC5 A:Dt54.65
BaC7 A:Dt54.47
BaC4 A:Dt53.93
BaO4 A:Dt52.99
BaO A:Hoh2012.89
BaO A:Hoh2022.84
BaO A:Hoh2032.77
BaO A:Hoh2052.95
BaO A:Hoh2122.72

interactive model:




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