Study : Wbm0052 (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: AGI_C_17(3CF9) / Model_78(3CF9/D) = [3.2] Download885.9012.20MQFNISDIIKILPHSYPFLLVDRVIECDPSKSIKAIKNVTFNEPFFIGHFPNHPIMPGVLIVESLAQASAICILGKGSKSTMENKVVYLMSIENAKFRKPVTPGDTLILQADFKNARLSVCKFECFAYVGEEKVAEATILAMLQNI
Complex: QUE_C_20(3CF8) / Model_83(3CF8/D) = [3.3] Download699.8212.20MQFNISDIIKILPHSYPFLLVDRVIECDPSKSIKAIKNVTFNEPFFIGHFPNHPIMPGVLIVESLAQASAICILGKGSKSTMENKVVYLMSIENAKFRKPVTPGDTLILQADFKNARLSVCKFECFAYVGEEKVAEATILAMLQNI
Complex: EMO_A_10(3ED0) / Model_17(3ED0/A) = [3.3] Download665.3227.15MQFNISDIIKILPHSYPFLLVDRVIECDPSKSIKAIKNVTFNEPFFIGHFPNHPIMPGVLIVESLAQASAICILGKGSKSTMENKVVYLMSIENAKFRKPVTPGDTLILQADFKNARLSVCKFECFAYVGEEKVAEATILAMLQNI
Complex: AGI_A_13(3CF9) / Model_9(3CF9/A) = [3.4] Download948.4021.33MQFNISDIIKILPHSYPFLLVDRVIECDPSKSIKAIKNVTFNEPFFIGHFPNHPIMPGVLIVESLAQASAICILGKGSKSTMENKVVYLMSIENAKFRKPVTPGDTLILQADFKNARLSVCKFECFAYVGEEKVAEATILAMLQNI
Complex: BDE_A_18(2GLP) / Model_6(2GLP/A) = [3.5] Download910.0025.38MQFNISDIIKILPHSYPFLLVDRVIECDPSKSIKAIKNVTFNEPFFIGHFPNHPIMPGVLIVESLAQASAICILGKGSKSTMENKVVYLMSIENAKFRKPVTPGDTLILQADFKNARLSVCKFECFAYVGEEKVAEATILAMLQNI
Consensus
[pKd Mean = 3.34]
-821
(s=116)
19
(s=6)
MQFNISDIIKILPHSYPFLLVDRVIECDPSKSIKAIKNVTFNEPFFIGHFPNHPIMPGVLIVESLAQASAICILGKGSKSTMENKVVYLMSIENAKFRKPVTPGDTLILQADFKNARLSVCKFECFAYVGEEKVAEATILAMLQNI