Study : 751_tIV_VITVI (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: LP3_A_5(2RKN) / Model_1(2RKN/A) = [5.7] Download1278.6155.04QTICNMSGEGLMACKPAVSPPNPAPPSAACCSALSHADMHCLCSYRNSKLLPSMGIDPNLALQLPKKCKFPNAAHC
Complex: LP3_A_6(2RKN) / Model_1(2RKN/A) = [6.0] Download1135.5047.90QTICNMSGEGLMACKPAVSPPNPAPPSAACCSALSHADMHCLCSYRNSKLLPSMGIDPNLALQLPKKCKFPNAAHC
Consensus
[pKd Mean = 5.85]
-1207
(s=71)
51
(s=3)
QTICNMSGEGLMACKPAVSPPNPAPPSAACCSALSHADMHCLCSYRNSKLLPSMGIDPNLALQLPKKCKFPNAAHC