Chemical elements
  Fluorine
    Isotopes
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    PDB 16pk-1c8m
    PDB 1c9d-1eau
    PDB 1ec0-1grn
    PDB 1gs4-1j97
    PDB 1jdj-1mu8
    PDB 1mue-1oyt
    PDB 1oz1-1rby
    PDB 1rbz-1tu6
    PDB 1tuy-1w9i
    PDB 1w9j-1yw2
    PDB 1yw9-2ax8
    PDB 2ax9-2dqt
    PDB 2dqu-2ftk
    PDB 2fvd-2hhn
    PDB 2hiw-2izs
    PDB 2j51-2onh
    PDB 2oo8-2pow
    PDB 2pq9-2qzl
    PDB 2qzo-2vev
    PDB 2vew-2wf7
    PDB 2wf8-2xhd
    PDB 2xkk-3ar9
    PDB 3az8-3cej
    PDB 3cem-3dh3
    PDB 3dhf-3el7
    PDB 3el8-3fln
    PDB 3flq-3gc7
    PDB 3gc8-3h7w
    PDB 3h82-3i81
    PDB 3i8d-3jx1
    PDB 3jx2-3ktk
    PDB 3ktu-3lj6
      3ktu
      3kuw
      3kv8
      3kvi
      3kvr
      3kvv
      3kvx
      3kvz
      3kw1
      3kw9
      3kwb
      3kwf
      3kwj
      3kwn
      3kwz
      3kxo
      3l08
      3l0e
      3l1b
      3l2u
      3l2v
      3l2w
      3l3m
      3l4d
      3l58
      3l70
      3l79
      3l7a
      3l7b
      3l7c
      3l7d
      3l8s
      3l8v
      3l9h
      3l9l
      3la3
      3lak
      3lb4
      3lbl
      3lbo
      3ld5
      3len
      3lep
      3lfq
      3lgp
      3lhg
      3lhj
      3lj1
      3lj2
      3lj6
    PDB 3lk9-3mqf
    PDB 3ms4-3nz7
    PDB 3o1g-3p4a
    PDB 3p4b-3ti1
    PDB 3tik-4acx
    PDB 4afe-4fk3
    PDB 4fod-7gch

Fluorine in the structure of X-Ray Structure of Cathepsin K Covalently Bound to A Triazine Ligand (pdb 3kw9)






The binding sites of Fluorine atom in the structure of X-Ray Structure of Cathepsin K Covalently Bound to A Triazine Ligand (pdb code 3kw9). This binding sites where shown with 5.0 Angstroms radius around Fluorine atom.
The 3kw9 structure was solved by J.C.M.UITDEHAAG, M.VAN ZEELAND, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)50.0-1.8
Space groupP43212
a (A)55.391
b (A)55.391
c (A)128.719
alpha (°)90.00
beta (°)90.00
gamma (°)90.00
Rfactor (%)23
Rfree (%)25.9


Fluorine Binding Sites:

Fluorine binding site 1 out of 3 in 3kw9


Fluorine binding site 1 out of 3 in 3kw9
Click to enlarge
stereopicture of Fluorine binding site 1 out of 3 in 3kw9
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Fluorine in the PDB 3kw9. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Fluorine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Gln19, A: His162, A: Trp184, A: Org216, A: Tfa217, A: Hoh287,

conact list:


AtomAtomDistance (A)
FNE2 A:Gln193.26
FOE1 A:Gln194.41
FCD A:Gln194.14
FNE2 A:His1624.58
FND1 A:His1623.44
FCE1 A:His1623.44
FCG A:His1624.64
FCD1 A:Trp1844.57
FCZ2 A:Trp1843.80
FCE2 A:Trp1843.93
FNE1 A:Trp1843.36
FC9 A:Org2164.10
FN5 A:Org2164.68
FC6 A:Org2164.78
FN15 A:Org2163.24
FO A:Tfa2172.50
FC1 A:Tfa2172.15
FF2 A:Tfa2171.93
FF3 A:Tfa2171.96
FF1 A:Tfa2170.00
FC2 A:Tfa2171.20
FOXT A:Tfa2173.36
FO A:Hoh2872.93

interactive model:


Fluorine binding site 2 out of 3 in 3kw9


Fluorine binding site 2 out of 3 in 3kw9
Click to enlarge
stereopicture of Fluorine binding site 2 out of 3 in 3kw9
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Fluorine in the PDB 3kw9. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Fluorine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Gln19, A: Gly20, A: Cys22, A: Trp184, A: Org216, A: Tfa217, A: Hoh287,

conact list:


AtomAtomDistance (A)
FNE2 A:Gln193.35
FCD A:Gln194.33
FO A:Gly204.89
FO A:Cys224.99
FCD1 A:Trp1844.66
FCZ2 A:Trp1844.65
FCE2 A:Trp1844.49
FNE1 A:Trp1843.77
FN15 A:Org2164.40
FO A:Tfa2173.21
FC1 A:Tfa2172.17
FF2 A:Tfa2170.00
FF3 A:Tfa2171.95
FF1 A:Tfa2171.93
FC2 A:Tfa2171.20
FOXT A:Tfa2172.73
FO A:Hoh2874.68

interactive model:


Fluorine binding site 3 out of 3 in 3kw9


Fluorine binding site 3 out of 3 in 3kw9
Click to enlarge
stereopicture of Fluorine binding site 3 out of 3 in 3kw9
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Fluorine in the PDB 3kw9. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Fluorine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Gln19, A: Cys22, A: Gly23, A: His162, A: Trp184, A: Org216, A: Tfa217, A: Hoh287,

conact list:


AtomAtomDistance (A)
FNE2 A:Gln193.26
FCD A:Gln194.52
FO A:Cys224.51
FC A:Cys224.87
FN A:Gly234.59
FC A:Gly234.80
FCA A:Gly233.76
FND1 A:His1624.98
FNE1 A:Trp1844.99
FC9 A:Org2163.98
FN8 A:Org2164.86
FC14 A:Org2163.94
FN5 A:Org2163.79
FC6 A:Org2164.33
FN15 A:Org2163.06
FC4 A:Org2164.80
FC13 A:Org2164.23
FO A:Tfa2173.12
FC1 A:Tfa2172.13
FF2 A:Tfa2171.95
FF3 A:Tfa2170.00
FF1 A:Tfa2171.96
FC2 A:Tfa2171.20
FOXT A:Tfa2172.75
FO A:Hoh2873.82

interactive model:




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