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    PDB 1aor-2rav
      1aor
      1atg
      1b25
      1b4n
      1bys
      1ckj
      1cws
      1dko
      1dv4
      1e18
      1e3p
      1fez
      1fka
      1fr3
      1gug
      1h0h
      1h9k
      1h9r
      1i94
      1i95
      1i96
      1i97
      1j9k
      1kpe
      1lgp
      1mu7
      1n7d
      1ohd
      1u7p
      1ujc
      1v0r
      1wod
      1xdy
      1ytw
      1z26
      1z7m
      2akc
      2e6b
      2e7z
      2hcm
      2hhl
      2hnq
      2i34
      2i6m
      2ivo
      2ogx
      2onk
      2ons
      2oyc
      2rav
    PDB 2rb5-6fit

Tungsten in the structure of Pkci-Transition State Analog (pdb 1kpe)






The binding sites of Tungsten atom in the structure of Pkci-Transition State Analog (pdb code 1kpe). This binding sites where shown with 5.0 Angstroms radius around Tungsten atom.
The 1kpe structure was solved by C.D.LIMA, M.G.KLEIN, W.A.HENDRICKSON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)10.0-1.8
Space groupP212121
a (A)46.200
b (A)77.800
c (A)80.800
alpha (°)90.00
beta (°)90.00
gamma (°)90.00
Rfactor (%)19.5
Rfree (%)22.3


Tungsten Binding Sites:

Tungsten binding site 1 out of 2 in 1kpe


Tungsten binding site 1 out of 2 in 1kpe
Click to enlarge
stereopicture of Tungsten binding site 1 out of 2 in 1kpe
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Tungsten in the PDB 1kpe. 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: Trp123, B: Asn99, B: Gly105, B: Ser107, B: Adw127, B: Hoh154, B: Hoh197,

conact list:


AtomAtomDistance (A)
WCD1 A:Trp1234.58
WCD2 A:Trp1234.38
WCE3 A:Trp1234.84
WCG A:Trp1234.52
WCZ2 A:Trp1234.80
WCE2 A:Trp1234.35
WNE1 A:Trp1234.48
WND2 B:Asn994.58
WO B:Gly1053.34
WC B:Gly1054.52
WN B:Ser1074.76
WCB B:Ser1074.48
WOG B:Ser1073.24
WO3B B:Adw1271.71
WC3' B:Adw1274.58
WO2A B:Adw1274.08
WO1B B:Adw1271.71
WC5' B:Adw1274.55
WWB B:Adw1270.00
WO5' B:Adw1273.93
WO2B B:Adw1271.72
WWA B:Adw1273.81
WO3A B:Adw1271.82
WO1A B:Adw1274.59
WO B:Hoh1544.86
WO B:Hoh1974.34

interactive model:


Tungsten binding site 2 out of 2 in 1kpe


Tungsten binding site 2 out of 2 in 1kpe
Click to enlarge
stereopicture of Tungsten binding site 2 out of 2 in 1kpe
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Tungsten in the PDB 1kpe. 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: Asn99, B: Gly105, B: Gln106, B: Ser107, B: Val108, B: His112, B: His114, B: Adw127, B: Hoh128,

conact list:


AtomAtomDistance (A)
WCB B:Asn994.80
WND2 B:Asn994.15
WCG B:Asn994.95
WO B:Gly1054.02
WC B:Gly1054.95
WC B:Gln1064.45
WCG B:Gln1064.82
WCA B:Gln1064.19
WN B:Ser1073.67
WCB B:Ser1074.70
WOG B:Ser1073.62
WC B:Ser1074.97
WCA B:Ser1074.60
WN B:Val1084.26
WCG2 B:Val1084.94
WNE2 B:His1122.52
WND1 B:His1124.49
WCD2 B:His1123.64
WCE1 B:His1123.27
WCG B:His1124.69
WNE2 B:His1143.67
WCD2 B:His1144.82
WCE1 B:His1144.29
WO3B B:Adw1274.81
WC3' B:Adw1274.46
WO2A B:Adw1271.71
WO1B B:Adw1274.27
WO4' B:Adw1274.83
WC5' B:Adw1272.83
WC4' B:Adw1273.77
WWB B:Adw1273.81
WO5' B:Adw1271.73
WO2B B:Adw1274.85
WWA B:Adw1270.00
WO3A B:Adw1272.10
WO1A B:Adw1271.69
WO B:Hoh1284.48

interactive model:




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