Chemical elements
  Antimony
    Isotopes
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    Chemical Properties
    Compounds
    PDB 1exi-2xqa
      1exi
      1f48
      2w0h
      2xqa

Antimony in the structure of X Ray Structure of Leishmania Infantum Trypanothione Reductase in Complex With Antimony and Nadph (pdb 2w0h)






The binding sites of Antimony atom in the structure of X Ray Structure of Leishmania Infantum Trypanothione Reductase in Complex With Antimony and Nadph (pdb code 2w0h). This binding sites where shown with 5.0 Angstroms radius around Antimony atom.
The 2w0h structure was solved by P.BAIOCCO, G.COLOTTI, S.FRANCESCHINI, A.ILARI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)103.1-3.0
Space groupP41
a (A)102.945
b (A)102.945
c (A)193.129
alpha (°)90.00
beta (°)90.00
gamma (°)90.00
Rfactor (%)23.8
Rfree (%)26.2


Antimony Binding Sites:

Antimony binding site 1 out of 2 in 2w0h


Antimony binding site 1 out of 2 in 2w0h
Click to enlarge
stereopicture of Antimony binding site 1 out of 2 in 2w0h
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Antimony in the PDB 2w0h. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Antimony atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Cys52, A: Cys57, A: Val58, A: Thr335, B: His461, A: Fad1486,

conact list:


AtomAtomDistance (A)
SbO A:Cys524.33
SbN A:Cys524.82
SbCB A:Cys523.28
SbSG A:Cys522.77
SbC A:Cys524.40
SbCA A:Cys523.65
SbN A:Cys573.92
SbCB A:Cys572.40
SbSG A:Cys572.95
SbC A:Cys574.63
SbCA A:Cys573.72
SbN A:Val584.74
SbCB A:Thr3353.55
SbCG2 A:Thr3354.20
SbOG1 A:Thr3352.97
SbCA A:Thr3354.89
SbNE2 B:His4614.86
SbND1 B:His4613.18
SbCE1 B:His4613.56
SbCG B:His4614.47
SbN3 A:Fad14864.00
SbN5 A:Fad14864.49
SbC2 A:Fad14863.90
SbC4X A:Fad14863.84
SbC9A A:Fad14864.93
SbC4 A:Fad14863.97
SbC10 A:Fad14863.73
SbO4 A:Fad14864.62
SbC5X A:Fad14865.00
SbN10 A:Fad14864.33
SbN1 A:Fad14863.76
SbO2 A:Fad14864.52
SbC1' A:Fad14864.91
SbC2' A:Fad14864.24
SbO2' A:Fad14864.13

interactive model:


Antimony binding site 2 out of 2 in 2w0h


Antimony binding site 2 out of 2 in 2w0h
Click to enlarge
stereopicture of Antimony binding site 2 out of 2 in 2w0h
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Antimony in the PDB 2w0h. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Antimony atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: His461, B: Cys52, B: Cys57, B: Val58, B: Thr335, B: Fad1486,

conact list:


AtomAtomDistance (A)
SbNE2 A:His4614.84
SbCB A:His4614.93
SbND1 A:His4613.10
SbCE1 A:His4613.54
SbCG A:His4614.37
SbO B:Cys524.40
SbN B:Cys524.95
SbCB B:Cys523.32
SbSG B:Cys522.89
SbC B:Cys524.48
SbCA B:Cys523.76
SbN B:Cys574.04
SbCB B:Cys572.37
SbSG B:Cys572.95
SbC B:Cys574.65
SbCA B:Cys573.76
SbN B:Val584.76
SbCB B:Thr3353.48
SbCG2 B:Thr3354.10
SbOG1 B:Thr3352.90
SbCA B:Thr3354.83
SbN3 B:Fad14863.94
SbN5 B:Fad14864.53
SbC2 B:Fad14863.85
SbC4X B:Fad14863.85
SbC9A B:Fad14864.99
SbC4 B:Fad14863.94
SbC10 B:Fad14863.75
SbO4 B:Fad14864.59
SbN10 B:Fad14864.37
SbN1 B:Fad14863.75
SbO2 B:Fad14864.44
SbC1' B:Fad14864.96
SbC2' B:Fad14864.25
SbO2' B:Fad14863.85

interactive model:




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