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    PDB 1aor-2rav
    PDB 2rb5-6fit
      2rb5
      2ush
      3c7t
      3cfx
      3cfz
      3cg1
      3cg3
      3cij
      3d31
      3d6a
      3e84
      3et5
      3f9a
      3fyh
      3h1c
      3kbp
      3lr1
      3nvb
      3rvs
      6fit

Tungsten in the structure of Structure-Function Analysis of 2-Keto-3-Deoxy-D-Glycero-D-Galacto- Nononate-9-Phosphate (Kdn) Phosphatase Defines A New Clad Within the Type C0 Had Subfamily (pdb 3e84)






The binding sites of Tungsten atom in the structure of Structure-Function Analysis of 2-Keto-3-Deoxy-D-Glycero-D-Galacto- Nononate-9-Phosphate (Kdn) Phosphatase Defines A New Clad Within the Type C0 Had Subfamily (pdb code 3e84). This binding sites where shown with 5.0 Angstroms radius around Tungsten atom.
The 3e84 structure was solved by Z.LU, L.WANG, D.DUNAWAY-MARIANO, K.N.ALLEN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)21.9-1.9
Space groupP21212
a (A)82.086
b (A)107.336
c (A)75.310
alpha (°)90.00
beta (°)90.00
gamma (°)90.00
Rfactor (%)17.6
Rfree (%)21.8


Tungsten Binding Sites:

Tungsten binding site 1 out of 4 in 3e84


Tungsten binding site 1 out of 4 in 3e84
Click to enlarge
stereopicture of Tungsten binding site 1 out of 4 in 3e84
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Tungsten in the PDB 3e84. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Tungsten atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Asp10, A: Ile11, A: Asp12, A: Thr54, A: Gly55, A: Glu56, A: Lys80, A: Asn106, A: Mg701, A: Wo4801, B: Hoh857, B: Hoh882, B: Hoh990, B: Hoh1001,

conact list:


AtomAtomDistance (A)
WCB A:Asp104.89
WOD2 A:Asp102.51
WOD1 A:Asp103.81
WCG A:Asp103.52
WN A:Ile114.37
WC A:Ile114.85
WCA A:Ile114.98
WO A:Asp124.51
WN A:Asp123.94
WCB A:Asp124.09
WOD2 A:Asp123.81
WCG A:Asp124.42
WCA A:Asp124.54
WCB A:Thr544.29
WOG1 A:Thr543.33
WC A:Thr544.68
WCA A:Thr544.36
WN A:Gly553.97
WCA A:Gly554.83
WN A:Glu564.75
WCG A:Glu564.76
WCE A:Lys804.95
WNZ A:Lys804.08
WND2 A:Asn1064.37
WOD1 A:Asn1064.94
WMG A:Mg7013.65
WO1 A:Wo48012.03
WW A:Wo48010.00
WO2 A:Wo48012.05
WO4 A:Wo48012.02
WO3 A:Wo48012.02
WO B:Hoh8574.19
WO B:Hoh8824.00
WO B:Hoh9904.68
WO B:Hoh10014.55

interactive model:


Tungsten binding site 2 out of 4 in 3e84


Tungsten binding site 2 out of 4 in 3e84
Click to enlarge
stereopicture of Tungsten binding site 2 out of 4 in 3e84
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Tungsten in the PDB 3e84. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Tungsten atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: B: Asp10, B: Ile11, B: Asp12, B: Thr54, B: Gly55, B: Glu56, B: Lys80, B: Asn106, B: Mg702, B: Wo4802, B: Hoh832, B: Hoh898, B: Hoh900, B: Hoh1143, B: Hoh1248,

conact list:


AtomAtomDistance (A)
WCB B:Asp104.86
WOD2 B:Asp103.88
WOD1 B:Asp102.53
WCG B:Asp103.54
WN B:Ile114.37
WC B:Ile114.85
WCA B:Ile114.99
WO B:Asp124.41
WN B:Asp123.93
WCB B:Asp124.14
WOD2 B:Asp123.72
WC B:Asp124.96
WCG B:Asp124.38
WCA B:Asp124.52
WCB B:Thr544.31
WOG1 B:Thr543.32
WC B:Thr544.74
WCA B:Thr544.37
WN B:Gly554.05
WCA B:Gly554.95
WN B:Glu564.78
WCG B:Glu564.96
WCE B:Lys804.92
WNZ B:Lys804.14
WND2 B:Asn1064.40
WMG B:Mg7023.63
WO1 B:Wo48022.05
WW B:Wo48020.00
WO2 B:Wo48022.04
WO4 B:Wo48022.05
WO3 B:Wo48022.04
WO B:Hoh8323.99
WO B:Hoh8984.69
WO B:Hoh9003.52
WO B:Hoh11434.67
WO B:Hoh12484.01

interactive model:


Tungsten binding site 3 out of 4 in 3e84


Tungsten binding site 3 out of 4 in 3e84
Click to enlarge
stereopicture of Tungsten binding site 3 out of 4 in 3e84
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Tungsten in the PDB 3e84. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Tungsten atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: C: Asp10, C: Ile11, C: Asp12, C: Thr54, C: Gly55, C: Glu56, C: Lys80, C: Asn106, C: Mg703, C: Wo4803, B: Hoh917, B: Hoh935, B: Hoh936, B: Hoh937, B: Hoh1215,

conact list:


AtomAtomDistance (A)
WCB C:Asp104.80
WOD2 C:Asp102.51
WOD1 C:Asp103.70
WCG C:Asp103.45
WN C:Ile114.34
WC C:Ile114.86
WCA C:Ile114.99
WO C:Asp124.52
WN C:Asp123.92
WCB C:Asp124.05
WOD1 C:Asp123.66
WCG C:Asp124.34
WCA C:Asp124.53
WCB C:Thr544.26
WOG1 C:Thr543.33
WC C:Thr544.66
WCA C:Thr544.28
WN C:Gly553.97
WCA C:Gly554.88
WN C:Glu564.76
WCG C:Glu564.98
WNZ C:Lys804.07
WND2 C:Asn1064.27
WOD1 C:Asn1064.89
WMG C:Mg7033.69
WO1 C:Wo48032.04
WW C:Wo48030.00
WO2 C:Wo48032.04
WO4 C:Wo48032.03
WO3 C:Wo48032.02
WO B:Hoh9174.59
WO B:Hoh9354.61
WO B:Hoh9363.76
WO B:Hoh9374.23
WO B:Hoh12154.28

interactive model:


Tungsten binding site 4 out of 4 in 3e84


Tungsten binding site 4 out of 4 in 3e84
Click to enlarge
stereopicture of Tungsten binding site 4 out of 4 in 3e84
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Tungsten in the PDB 3e84. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Tungsten atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: D: Asp10, D: Ile11, D: Asp12, D: Thr54, D: Gly55, D: Glu56, D: Lys80, D: Asn106, D: Mg704, D: Wo4804, B: Hoh851, B: Hoh1086, B: Hoh1093,

conact list:


AtomAtomDistance (A)
WCB D:Asp104.91
WOD2 D:Asp103.81
WOD1 D:Asp102.56
WCG D:Asp103.54
WN D:Ile114.38
WC D:Ile114.86
WO D:Asp124.49
WN D:Asp123.93
WCB D:Asp123.99
WOD2 D:Asp123.75
WCG D:Asp124.37
WCA D:Asp124.50
WCB D:Thr544.40
WOG1 D:Thr543.45
WC D:Thr544.69
WCA D:Thr544.37
WN D:Gly553.96
WCA D:Gly554.80
WN D:Glu564.73
WCG D:Glu564.94
WCE D:Lys804.95
WNZ D:Lys804.12
WND2 D:Asn1064.42
WMG D:Mg7043.64
WO1 D:Wo48042.05
WW D:Wo48040.00
WO2 D:Wo48042.04
WO4 D:Wo48042.04
WO3 D:Wo48042.03
WO B:Hoh8514.79
WO B:Hoh10864.61
WO B:Hoh10933.99

interactive model:




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