Chemical elements
  Fluorine
    Isotopes
    Energy
    Production
    Application
    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
      2oo8
      2oow
      2op3
      2opa
      2opb
      2oph
      2opm
      2opp
      2opq
      2opr
      2ops
      2oqi
      2oqv
      2osc
      2ow1
      2ow2
      2p15
      2p2v
      2p3g
      2p4i
      2p4y
      2p54
      2p55
      2p83
      2p8h
      2p8s
      2pb1
      2pd5
      2pd9
      2pdb
      2pdf
      2pdi
      2pdk
      2pdl
      2pdm
      2pdw
      2pdx
      2pdy
      2pev
      2pf8
      2pfh
      2ph6
      2phb
      2pis
      2pix
      2pkk
      2pl1
      2pl9
      2pnu
      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
    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 Human Dipeptidyl Peptidase IV (DPP4) With Piperidinone- Constrained Phenethylamine (pdb 2oqi)






The binding sites of Fluorine atom in the structure of Human Dipeptidyl Peptidase IV (DPP4) With Piperidinone- Constrained Phenethylamine (pdb code 2oqi). This binding sites where shown with 5.0 Angstroms radius around Fluorine atom.
The 2oqi structure was solved by Z.PEI, X.LI, T.W.VON GELDERN, K.L.LONGENECKER, D.PIREH, K.D.STEWART, B.J.BACKES, C.LAI, T.H.LUBBEN, S.J.BALLARON, D.W.BENO, A.J.KEMPF-GROTE, H.L.SHAM, J.M.TREVILLYAN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)50.0-2.8
Space groupP1211
a (A)119.294
b (A)127.300
c (A)126.799
alpha (°)90.00
beta (°)96.45
gamma (°)90.00
Rfactor (%)23.9
Rfree (%)28.4


Fluorine Binding Sites:

Fluorine binding site 1 out of 3 in 2oqi


Fluorine binding site 1 out of 3 in 2oqi
Click to enlarge
stereopicture of Fluorine binding site 1 out of 3 in 2oqi
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Fluorine in the PDB 2oqi. 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: B: Tyr547, B: Tyr631, B: Val656, B: Trp659, B: Tyr662, B: Tyr666, B: Ggo901,

conact list:


AtomAtomDistance (A)
FOH B:Tyr5474.71
FN B:Tyr6314.12
FCB B:Tyr6313.56
FCE2 B:Tyr6314.31
FCD2 B:Tyr6313.26
FCG B:Tyr6313.87
FCA B:Tyr6314.02
FCG2 B:Val6564.68
FCZ3 B:Trp6594.43
FCH2 B:Trp6594.21
FCE2 B:Tyr6624.41
FCD2 B:Tyr6624.79
FCZ B:Tyr6624.69
FOH B:Tyr6624.97
FCE2 B:Tyr6664.40
FCD1 B:Tyr6664.52
FCZ B:Tyr6663.67
FCE1 B:Tyr6663.74
FOH B:Tyr6663.58
FF B:Ggo9010.00
FC19 B:Ggo9014.88
FC24 B:Ggo9012.37
FC20 B:Ggo9013.60
FF25 B:Ggo9012.77
FC27 B:Ggo9014.07
FC22 B:Ggo9011.33
FC26 B:Ggo9013.65
FC21 B:Ggo9012.32

interactive model:


Fluorine binding site 2 out of 3 in 2oqi


Fluorine binding site 2 out of 3 in 2oqi
Click to enlarge
stereopicture of Fluorine binding site 2 out of 3 in 2oqi
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Fluorine in the PDB 2oqi. 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: B: Ser630, B: Tyr631, B: Val656, B: Tyr662, B: Val711, B: His740, B: Ggo901,

conact list:


AtomAtomDistance (A)
FO B:Ser6304.63
FCB B:Ser6303.86
FOG B:Ser6304.76
FC B:Ser6303.95
FCA B:Ser6304.02
FN B:Tyr6313.73
FCB B:Tyr6314.79
FCA B:Tyr6314.37
FCB B:Val6564.61
FCG2 B:Val6563.34
FCE2 B:Tyr6624.70
FCD1 B:Tyr6624.65
FCZ B:Tyr6624.24
FCE1 B:Tyr6624.20
FOH B:Tyr6624.50
FCB B:Val7114.56
FCG2 B:Val7113.25
FCG1 B:Val7114.72
FNE2 B:His7404.40
FCE1 B:His7404.54
FF B:Ggo9012.77
FC24 B:Ggo9011.33
FC20 B:Ggo9014.14
FF25 B:Ggo9010.00
FC27 B:Ggo9013.58
FC22 B:Ggo9012.38
FC26 B:Ggo9012.32
FF28 B:Ggo9014.66
FC21 B:Ggo9013.65

interactive model:


Fluorine binding site 3 out of 3 in 2oqi


Fluorine binding site 3 out of 3 in 2oqi
Click to enlarge
stereopicture of Fluorine binding site 3 out of 3 in 2oqi
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Fluorine in the PDB 2oqi. 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: B: Arg125, B: Glu205, B: Ser630, B: Tyr662, B: Asn710, B: His740, B: Ggo901,

conact list:


AtomAtomDistance (A)
FCZ B:Arg1254.37
FNH2 B:Arg1253.12
FNH1 B:Arg1254.89
FOE2 B:Glu2053.35
FCD B:Glu2054.53
FOG B:Ser6304.71
FCZ B:Tyr6624.73
FOH B:Tyr6623.60
FCB B:Asn7104.98
FND2 B:Asn7103.36
FOD1 B:Asn7103.80
FCG B:Asn7103.82
FNE2 B:His7403.79
FCD2 B:His7403.76
FCE1 B:His7404.94
FCG B:His7404.94
FN B:Ggo9012.99
FC19 B:Ggo9012.87
FC18 B:Ggo9014.25
FC B:Ggo9013.51
FC24 B:Ggo9013.59
FC20 B:Ggo9012.40
FC3 B:Ggo9014.52
FF25 B:Ggo9014.66
FC27 B:Ggo9011.34
FC22 B:Ggo9014.09
FC26 B:Ggo9012.34
FF28 B:Ggo9010.00
FC21 B:Ggo9013.66

interactive model:




© Copyright 2008-2012 by atomistry.com