Study : 241_tI_FRAAN (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: DAO_E_5(2ALG) / Model_10(2ALG/A) = [3.4] Download868.4030.25ITCGQVASSISPCVNYVKSGGAVPAACCNGIRSLNSAAKTTADRQTTCNCLKQASGAIKGLNPNLAAGLPGKCGVNVPYKISTSTNCAAVK
Complex: OLA_A_2(1FK5) / Model_30(1FK5/A) = [5.3] Download1125.5843.77ITCGQVASSISPCVNYVKSGGAVPAACCNGIRSLNSAAKTTADRQTTCNCLKQASGAIKGLNPNLAAGLPGKCGVNVPYKISTSTNCAAVK
Consensus
[pKd Mean = 4.35]
-996
(s=128)
37
(s=6)
ITCGQVASSISPCVNYVKSGGAVPAACCNGIRSLNSAAKTTADRQTTCNCLKQASGAIKGLNPNLAAGLPGKCGVNVPYKISTSTNCAAVK