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 Barium Derivative of Human Lfabp (pdb 3vg5)






The binding sites of Barium atom in the structure of Barium Derivative of Human Lfabp (pdb code 3vg5). This binding sites where shown with 5.0 Angstroms radius around Barium atom.
The 3vg5 structure was solved by A.SHARMA, M.YOGAVEL, A.SHARMA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)8.0-2.0
Space groupP212121
a (A)30.293
b (A)57.122
c (A)74.110
alpha (°)90.00
beta (°)90.00
gamma (°)90.00
Rfactor (%)21.4
Rfree (%)25


Barium Binding Sites:

Barium binding site 1 out of 2 in 3vg5


Barium binding site 1 out of 2 in 3vg5
Click to enlarge
stereopicture of Barium binding site 1 out of 2 in 3vg5
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Barium in the PDB 3vg5. 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: Ser2, A: Asp88, A: Asn89, A: Hoh216, A: Hoh225, A: Hoh251, A: Hoh252,

conact list:


AtomAtomDistance (A)
BaO A:Ser24.92
BaCB A:Ser23.89
BaOG A:Ser22.91
BaCA A:Ser24.33
BaCB A:Asp884.33
BaCB A:Asp884.53
BaOD2 A:Asp884.73
BaND2 A:Asn894.00
BaOD1 A:Asn892.86
BaCG A:Asn893.79
BaO A:Hoh2164.79
BaO A:Hoh2253.37
BaO A:Hoh2512.72
BaO A:Hoh2522.51

interactive model:


Barium binding site 2 out of 2 in 3vg5


Barium binding site 2 out of 2 in 3vg5
Click to enlarge
stereopicture of Barium binding site 2 out of 2 in 3vg5
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Barium in the PDB 3vg5. 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: Thr81, A: Val82, A: Thr94, A: Phe95, A: Hoh132, A: Hoh152, A: Hoh259, A: Hoh282, A: Hoh283,

conact list:


AtomAtomDistance (A)
BaCB A:Thr813.69
BaCG2 A:Thr814.97
BaOG1 A:Thr812.60
BaC A:Thr814.83
BaCA A:Thr814.18
BaO A:Val824.98
BaN A:Val824.35
BaO A:Thr942.96
BaN A:Thr944.49
BaCB A:Thr944.36
BaC A:Thr943.96
BaCA A:Thr944.53
BaN A:Phe954.97
BaO A:Hoh1322.64
BaO A:Hoh1524.65
BaO A:Hoh2594.74
BaO A:Hoh2822.81
BaO A:Hoh2833.10

interactive model:




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