Study : bsu23040 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: COA_A_8(1WTF) / Model_33(1WTF/A) = [3.9] Download1077.9311.17MAKYTIVDKDTCIACGACGAAAPDIYDYDDEGIAFVTLDENKGVVEVPEVLEEDMIDAFEGCPTDSIKVADEPFEGDPLKFE
Complex: F3S_C_11(1WTF) / Model_22(1WTF/C) = [3.9] Download21.1319.40MAKYTIVDKDTCIACGACGAAAPDIYDYDDEGIAFVTLDENKGVVEVPEVLEEDMIDAFEGCPTDSIKVADEPFEGDPLKFE
Complex: F3S_D_12(1WTF) / Model_21(1WTF/D) = [3.9] Download16.1935.67MAKYTIVDKDTCIACGACGAAAPDIYDYDDEGIAFVTLDENKGVVEVPEVLEEDMIDAFEGCPTDSIKVADEPFEGDPLKFE
Complex: COA_A_8(1WTF) / Model_3(1WTF/A) = [3.9] Download1159.8911.17MAKYTIVDKDTCIACGACGAAAPDIYDYDDEGIAFVTLDENKGVVEVPEVLEEDMIDAFEGCPTDSIKVADEPFEGDPLKFE
Complex: F3S_B_10(1WTF) / Model_23(1WTF/B) = [3.9] Download21.5824.25MAKYTIVDKDTCIACGACGAAAPDIYDYDDEGIAFVTLDENKGVVEVPEVLEEDMIDAFEGCPTDSIKVADEPFEGDPLKFE
Consensus
[pKd Mean = 3.90]
-459
(s=539)
20
(s=9)
MAKYTIVDKDTCIACGACGAAAPDIYDYDDEGIAFVTLDENKGVVEVPEVLEEDMIDAFEGCPTDSIKVADEPFEGDPLKFE