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    PDB 3e94-3kwy
      3e94
      3kwy

Tin in the structure of Crystal Structure of Rxralpha Ligand Binding Domain in Complex With Tributyltin and A Coactivator Fragment (pdb 3e94)






The binding sites of Tin atom in the structure of Crystal Structure of Rxralpha Ligand Binding Domain in Complex With Tributyltin and A Coactivator Fragment (pdb code 3e94). This binding sites where shown with 5.0 Angstroms radius around Tin atom.
The 3e94 structure was solved by W.BOURGUET, A.LE MAIRE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)28.6-1.9
Space groupP43212
a (A)64.028
b (A)64.028
c (A)111.882
alpha (°)90.00
beta (°)90.00
gamma (°)90.00
Rfactor (%)19
Rfree (%)22.5


Tin Binding Sites:

Tin binding site 1 out of 2 in 3e94


Tin binding site 1 out of 2 in 3e94
Click to enlarge
stereopicture of Tin binding site 1 out of 2 in 3e94
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Tin in the PDB 3e94. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Tin atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Ile345, A: Cys432, A: Leu436, A: Tby1,

conact list:


AtomAtomDistance (A)
SnCD1 A:Ile3454.85
SnO A:Cys4324.25
SnCB A:Cys4323.15
SnSG A:Cys4322.43
SnSG A:Cys4323.07
SnC A:Cys4324.35
SnCA A:Cys4323.85
SnCD1 A:Leu4364.64
SnCD2 A:Leu4364.84
SnCG A:Leu4364.63
SnC9 A:Tby14.69
SnC9 A:Tby14.83
SnC6 A:Tby12.15
SnC6 A:Tby12.55
SnC5 A:Tby14.78
SnC5 A:Tby14.25
SnC12 A:Tby14.43
SnC12 A:Tby12.54
SnSN1 A:Tby10.00
SnSN1 A:Tby11.95
SnC7 A:Tby13.05
SnC7 A:Tby13.38
SnC4 A:Tby13.53
SnC11 A:Tby13.04
SnC11 A:Tby11.10
SnC10 A:Tby12.14
SnC10 A:Tby11.07
SnC13 A:Tby13.37
SnC3 A:Tby13.01
SnC3 A:Tby14.84
SnC8 A:Tby14.16
SnC8 A:Tby13.35
SnC2 A:Tby12.14
SnC2 A:Tby13.89

interactive model:


Tin binding site 2 out of 2 in 3e94


Tin binding site 2 out of 2 in 3e94
Click to enlarge
stereopicture of Tin binding site 2 out of 2 in 3e94
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Tin in the PDB 3e94. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Tin atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Ile345, A: Cys432, A: Tby1,

conact list:


AtomAtomDistance (A)
SnCD1 A:Ile3453.50
SnCG2 A:Ile3454.58
SnCG1 A:Ile3454.25
SnCB A:Cys4323.53
SnSG A:Cys4323.78
SnSG A:Cys4322.44
SnCA A:Cys4324.07
SnC6 A:Tby13.30
SnC6 A:Tby12.14
SnC5 A:Tby14.07
SnC5 A:Tby13.24
SnC12 A:Tby12.81
SnC12 A:Tby14.28
SnSN1 A:Tby11.95
SnSN1 A:Tby10.00
SnC7 A:Tby14.60
SnC7 A:Tby12.97
SnC4 A:Tby13.35
SnC4 A:Tby13.64
SnC11 A:Tby11.69
SnC11 A:Tby13.00
SnC10 A:Tby10.64
SnC10 A:Tby12.12
SnC13 A:Tby14.09
SnC3 A:Tby12.79
SnC3 A:Tby13.02
SnC8 A:Tby13.73
SnC2 A:Tby12.92
SnC2 A:Tby12.13

interactive model:




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