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 Lambda-[Ru(Phen)2(Dppz)]2+ Bound to Ccggatccgg (pdb 4e7y)






The binding sites of Barium atom in the structure of Lambda-[Ru(Phen)2(Dppz)]2+ Bound to Ccggatccgg (pdb code 4e7y). This binding sites where shown with 5.0 Angstroms radius around Barium atom.
The 4e7y structure was solved by J.P.HALL, C.J.CARDIN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)33.7-1.7
Space groupP43212
a (A)47.720
b (A)47.720
c (A)34.660
alpha (°)90.00
beta (°)90.00
gamma (°)90.00
Rfactor (%)15.5
Rfree (%)18.8


Barium Binding Sites:

Barium binding site 1 out of 1 in 4e7y


Barium binding site 1 out of 1 in 4e7y
Click to enlarge
stereopicture of Barium binding site 1 out of 1 in 4e7y
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Barium in the PDB 4e7y. 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: Hoh201, A: Hoh202, A: Hoh203, A: Hoh204, A: Hoh205, A: Hoh208, A: Hoh213, A: Hoh221, A: Hoh251,

conact list:


AtomAtomDistance (A)
BaC8 A:Dg33.71
BaC6 A:Dg34.72
BaC5 A:Dg34.18
BaN7 A:Dg33.01
BaOP2 A:Dg34.68
BaO6 A:Dg34.44
BaC8 A:Dg44.24
BaC6 A:Dg43.61
BaN1 A:Dg44.98
BaC5 A:Dg43.66
BaN7 A:Dg43.06
BaC4 A:Dg45.00
BaO6 A:Dg42.92
BaO A:Hoh2012.72
BaO A:Hoh2022.94
BaO A:Hoh2033.08
BaO A:Hoh2042.85
BaO A:Hoh2054.94
BaO A:Hoh2082.86
BaO A:Hoh2132.84
BaO A:Hoh2214.99
BaO A:Hoh2514.60

interactive model:




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