Chemical elements
  Aluminium
    Isotopes
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    Preparation
    Physical properties
    Chemical properties
    Applications
    PDB 1a6e-1zca
    PDB 2b8w-3i62
    PDB 3kql-5ukd
      3kql
      3lvq
      3lvr
      3ohm
      3t34
      3ukd
      5ukd

Aluminium in the structure of Three Conformational Snapshots of the Hepatitis C Virus NS3 Helicase Reveal A Ratchet Translocation Mechanism (pdb 3kql)






The binding sites of Aluminium atom in the structure of Three Conformational Snapshots of the Hepatitis C Virus NS3 Helicase Reveal A Ratchet Translocation Mechanism (pdb code 3kql). This binding sites where shown with 5.0 Angstroms radius around Aluminium atom.
The 3kql structure was solved by M.GU, C.M.RICE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)50.0-2.5
Space groupP121
a (A)43.535
b (A)75.315
c (A)144.229
alpha (°)90.00
beta (°)90.16
gamma (°)90.00
Rfactor (%)18.4
Rfree (%)21.1


Aluminium Binding Sites:

Aluminium binding site 1 out of 2 in 3kql


Aluminium binding site 1 out of 2 in 3kql
Click to enlarge
stereopicture of Aluminium binding site 1 out of 2 in 3kql
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Aluminium in the PDB 3kql. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Aluminium atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Thr206, A: Gly207, A: Lys210, A: Glu291, A: Gly417, A: Gln460, A: Arg464, A: Arg467, A: Alf1, A: Adp2, A: Mg3, A: Hoh4, A: Hoh5, A: Hoh626, A: Hoh627, A: Hoh628,

conact list:


AtomAtomDistance (A)
AlCB A:Thr2064.42
AlCG2 A:Thr2064.56
AlC A:Thr2064.67
AlCA A:Thr2064.19
AlN A:Gly2074.04
AlNZ A:Lys2103.71
AlOE1 A:Glu2913.90
AlCD A:Glu2914.92
AlN A:Gly4174.23
AlCA A:Gly4174.38
AlOE1 A:Gln4604.43
AlCZ A:Arg4644.40
AlNH2 A:Arg4643.81
AlNH1 A:Arg4644.01
AlCZ A:Arg4674.52
AlNH2 A:Arg4673.97
AlNH1 A:Arg4674.09
AlF4 A:Alf11.64
AlF3 A:Alf11.63
AlF2 A:Alf11.64
AlAL A:Alf10.00
AlF1 A:Alf11.63
AlO3B A:Adp23.61
AlO1B A:Adp24.15
AlPB A:Adp23.28
AlO2B A:Adp21.94
AlO3A A:Adp24.26
AlMG A:Mg33.39
AlO A:Hoh44.72
AlO A:Hoh53.95
AlO A:Hoh6262.13
AlO A:Hoh6274.45
AlO A:Hoh6283.93

interactive model:


Aluminium binding site 2 out of 2 in 3kql


Aluminium binding site 2 out of 2 in 3kql
Click to enlarge
stereopicture of Aluminium binding site 2 out of 2 in 3kql
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Aluminium in the PDB 3kql. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Aluminium atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: B: Thr206, B: Gly207, B: Lys210, B: Glu291, B: Gly417, B: Gln460, B: Arg464, B: Arg467, B: Alf1, B: Adp2, B: Mg3, B: Hoh7, B: Hoh8, B: Hoh9, B: Hoh10, B: Hoh12,

conact list:


AtomAtomDistance (A)
AlCB B:Thr2064.45
AlCG2 B:Thr2064.65
AlC B:Thr2064.57
AlCA B:Thr2064.19
AlN B:Gly2073.86
AlCA B:Gly2074.83
AlCE B:Lys2104.93
AlNZ B:Lys2103.47
AlOE1 B:Glu2914.00
AlN B:Gly4174.24
AlCA B:Gly4174.34
AlOE1 B:Gln4604.49
AlCZ B:Arg4644.52
AlNH2 B:Arg4644.01
AlNH1 B:Arg4644.04
AlCZ B:Arg4674.46
AlNH2 B:Arg4673.93
AlNH1 B:Arg4674.01
AlF4 B:Alf11.62
AlF3 B:Alf11.64
AlF2 B:Alf11.63
AlAL B:Alf10.00
AlF1 B:Alf11.63
AlO3B B:Adp23.59
AlO1B B:Adp24.18
AlPB B:Adp23.26
AlO2B B:Adp21.92
AlO3A B:Adp24.21
AlMG B:Mg33.34
AlO B:Hoh72.19
AlO B:Hoh83.68
AlO B:Hoh94.90
AlO B:Hoh104.54
AlO B:Hoh124.01

interactive model:




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