Study : 467_tIV_VITVI (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: LP3_A_6(2RKN) / Model_1(2RKN/A) = [5.4] Download1590.8646.41FSLCNMSEDDLMTCKPAVSKPSPVDPSPECCKALSGADLTCLCSYKNSETLPFLGIDPDLAMALPSKCNLTPPASC
Complex: LP3_A_5(2RKN) / Model_1(2RKN/A) = [5.5] Download1479.3150.96FSLCNMSEDDLMTCKPAVSKPSPVDPSPECCKALSGADLTCLCSYKNSETLPFLGIDPDLAMALPSKCNLTPPASC
Consensus
[pKd Mean = 5.45]
-1535
(s=55)
48
(s=2)
FSLCNMSEDDLMTCKPAVSKPSPVDPSPECCKALSGADLTCLCSYKNSETLPFLGIDPDLAMALPSKCNLTPPASC