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    PDB 1aoo-3kso
      1aoo
      1aqq
      1q06
      2aw0
      2g7n
      2ke8
      2qcp
      2vb3
      2x17
      2x50
      3h94
      3kso

Silver in the structure of Crystal Structure of Trypanothione Reductase From Leishmania Infantum in Complex With Nadph and Silver (pdb 2x50)






The binding sites of Silver atom in the structure of Crystal Structure of Trypanothione Reductase From Leishmania Infantum in Complex With Nadph and Silver (pdb code 2x50). This binding sites where shown with 5.0 Angstroms radius around Silver atom.
The 2x50 structure was solved by P.BAIOCCO, A.ILARI, G.COLOTTI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)40.0-3.3
Space groupP41
a (A)102.323
b (A)102.323
c (A)193.561
alpha (°)90.00
beta (°)90.00
gamma (°)90.00
Rfactor (%)22.928
Rfree (%)26.452


Silver Binding Sites:

Silver binding site 1 out of 4 in 2x50


Silver binding site 1 out of 4 in 2x50
Click to enlarge
stereopicture of Silver binding site 1 out of 4 in 2x50
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Silver in the PDB 2x50. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Silver atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Ser14, A: Cys52, A: Val53, A: Cys57, A: Val58, A: Thr335, B: His461,

conact list:


AtomAtomDistance (A)
AgOG A:Ser144.81
AgO A:Cys523.56
AgCB A:Cys523.06
AgSG A:Cys522.43
AgC A:Cys523.76
AgCA A:Cys523.87
AgN A:Val534.54
AgN A:Cys574.36
AgCB A:Cys573.14
AgSG A:Cys572.33
AgC A:Cys574.76
AgCA A:Cys574.25
AgN A:Val584.35
AgCG2 A:Val584.17
AgCB A:Thr3353.97
AgCG2 A:Thr3353.63
AgOG1 A:Thr3353.45
AgNE2 B:His4612.70
AgCB B:His4614.82
AgND1 B:His4613.90
AgCD2 B:His4612.98
AgCE1 B:His4613.36
AgCG B:His4613.72

interactive model:


Silver binding site 2 out of 4 in 2x50


Silver binding site 2 out of 4 in 2x50
Click to enlarge
stereopicture of Silver binding site 2 out of 4 in 2x50
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Silver in the PDB 2x50. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Silver atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Ser440, A: Ile443, A: Cys444, A: Met447, B: Ser440, B: Ile443, B: Cys444, B: Met447, B: Ag1491,

conact list:


AtomAtomDistance (A)
AgO A:Ser4403.56
AgC A:Ser4404.75
AgO A:Ile4434.89
AgCB A:Ile4434.45
AgCG2 A:Ile4434.45
AgC A:Ile4434.30
AgCA A:Ile4434.97
AgN A:Cys4443.59
AgCB A:Cys4443.22
AgSG A:Cys4441.89
AgCA A:Cys4443.56
AgCE A:Met4474.55
AgSD A:Met4474.71
AgO B:Ser4403.53
AgC B:Ser4404.72
AgCB B:Ile4434.47
AgCG2 B:Ile4434.45
AgC B:Ile4434.40
AgN B:Cys4443.62
AgCB B:Cys4443.23
AgSG B:Cys4441.76
AgCA B:Cys4443.60
AgSD B:Met4474.79
AgAG B:Ag14913.26

interactive model:


Silver binding site 3 out of 4 in 2x50


Silver binding site 3 out of 4 in 2x50
Click to enlarge
stereopicture of Silver binding site 3 out of 4 in 2x50
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Silver in the PDB 2x50. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Silver atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: His461, B: Ser14, B: Cys52, B: Val53, B: Cys57, B: Val58, B: Thr335,

conact list:


AtomAtomDistance (A)
AgNE2 A:His4612.67
AgCB A:His4614.71
AgND1 A:His4613.83
AgCD2 A:His4612.89
AgCE1 A:His4613.33
AgCG A:His4613.62
AgOG B:Ser144.76
AgO B:Cys523.64
AgCB B:Cys523.24
AgSG B:Cys521.98
AgC B:Cys523.78
AgCA B:Cys523.76
AgN B:Val534.59
AgN B:Cys574.30
AgCB B:Cys573.01
AgSG B:Cys572.33
AgC B:Cys574.60
AgCA B:Cys574.14
AgN B:Val584.22
AgCG2 B:Val584.16
AgCB B:Thr3353.91
AgCG2 B:Thr3353.72
AgOG1 B:Thr3353.31

interactive model:


Silver binding site 4 out of 4 in 2x50


Silver binding site 4 out of 4 in 2x50
Click to enlarge
stereopicture of Silver binding site 4 out of 4 in 2x50
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Silver in the PDB 2x50. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Silver atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Ile443, A: Cys444, A: Met447, A: Ala449, B: Ile443, B: Cys444, B: Met447, B: Ala449, A: Ag1490,

conact list:


AtomAtomDistance (A)
AgO A:Ile4434.96
AgO A:Cys4444.79
AgN A:Cys4444.80
AgCB A:Cys4444.20
AgSG A:Cys4443.35
AgC A:Cys4444.94
AgCA A:Cys4444.01
AgCB A:Met4473.82
AgCE A:Met4473.31
AgCG A:Met4473.54
AgSD A:Met4472.21
AgCB A:Ala4494.99
AgO B:Ile4434.57
AgC B:Ile4434.76
AgO B:Cys4444.39
AgN B:Cys4444.38
AgCB B:Cys4443.94
AgSG B:Cys4443.44
AgC B:Cys4444.52
AgCA B:Cys4443.61
AgCB B:Met4473.57
AgCE B:Met4473.41
AgCG B:Met4473.55
AgSD B:Met4472.44
AgCB B:Ala4494.87
AgAG A:Ag14903.26

interactive model:




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