Study : bsu36170 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: NACID_F_5(2W35) / Model_19(2W35/B) = [8.5] Download--MKVFDVHKFDMKKEQDFLQVQFNLKNRINLSPTIHPDSINTCAGVDLAYWEQDGEPYGVCCIIVIDADTKEVIEKVHSMGRISVPYVSGFLAFRELPLIIEAAKKLETEPDVFLFDGNGYLHYNHMGVATHAAFFLGKPTIGIAKTYLKIKGCDFVTPEIEVGAYTDIIIDGEVYGRALRTRRDVKPIFLSCGNYIDLDSSYQITMSLINQESRLPIPVRLADLETHVLRTFYQKNHV
Complex: NACID_C_3(4B20) / Model_3(4B20/A) = [10.1] Download--MKVFDVHKFDMKKEQDFLQVQFNLKNRINLSPTIHPDSINTCAGVDLAYWEQDGEPYGVCCIIVIDADTKEVIEKVHSMGRISVPYVSGFLAFRELPLIIEAAKKLETEPDVFLFDGNGYLHYNHMGVATHAAFFLGKPTIGIAKTYLKIKGCDFVTPEIEVGAYTDIIIDGEVYGRALRTRRDVKPIFLSCGNYIDLDSSYQITMSLINQESRLPIPVRLADLETHVLRTFYQKNHV
Complex: NACID_C_3(2W36) / Model_5(2W36/A) = [10.4] Download--MKVFDVHKFDMKKEQDFLQVQFNLKNRINLSPTIHPDSINTCAGVDLAYWEQDGEPYGVCCIIVIDADTKEVIEKVHSMGRISVPYVSGFLAFRELPLIIEAAKKLETEPDVFLFDGNGYLHYNHMGVATHAAFFLGKPTIGIAKTYLKIKGCDFVTPEIEVGAYTDIIIDGEVYGRALRTRRDVKPIFLSCGNYIDLDSSYQITMSLINQESRLPIPVRLADLETHVLRTFYQKNHV
Complex: NACID_E_5(2W36) / Model_20(2W36/B) = [10.6] Download--MKVFDVHKFDMKKEQDFLQVQFNLKNRINLSPTIHPDSINTCAGVDLAYWEQDGEPYGVCCIIVIDADTKEVIEKVHSMGRISVPYVSGFLAFRELPLIIEAAKKLETEPDVFLFDGNGYLHYNHMGVATHAAFFLGKPTIGIAKTYLKIKGCDFVTPEIEVGAYTDIIIDGEVYGRALRTRRDVKPIFLSCGNYIDLDSSYQITMSLINQESRLPIPVRLADLETHVLRTFYQKNHV
Complex: NACID_C_3(2W35) / Model_2(2W35/A) = [11.8] Download--MKVFDVHKFDMKKEQDFLQVQFNLKNRINLSPTIHPDSINTCAGVDLAYWEQDGEPYGVCCIIVIDADTKEVIEKVHSMGRISVPYVSGFLAFRELPLIIEAAKKLETEPDVFLFDGNGYLHYNHMGVATHAAFFLGKPTIGIAKTYLKIKGCDFVTPEIEVGAYTDIIIDGEVYGRALRTRRDVKPIFLSCGNYIDLDSSYQITMSLINQESRLPIPVRLADLETHVLRTFYQKNHV
Consensus
[pKd Mean = 10.28]
-0
(s=0)
0
(s=0)
MKVFDVHKFDMKKEQDFLQVQFNLKNRINLSPTIHPDSINTCAGVDLAYWEQDGEPYGVCCIIVIDADTKEVIEKVHSMGRISVPYVSGFLAFRELPLIIEAAKKLETEPDVFLFDGNGYLHYNHMGVATHAAFFLGKPTIGIAKTYLKIKGCDFVTPEIEVGAYTDIIIDGEVYGRALRTRRDVKPIFLSCGNYIDLDSSYQITMSLINQESRLPIPVRLADLETHVLRTFYQKNHV