Study : 512_tI_CASMO (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: DAO_E_5(2ALG) / Model_11(2ALG/A) = [3.8] Download736.7539.84AISCGQVQSSLVACIPYLRSGGSPTQACCNGVKSLNNAAKTTADRQAACECLKTAAGSISGLSPANAASLPGKCGVNVPYKISTSTNCKNVK
Complex: LPC_A_4(1BWO) / Model_16(1BWO/A) = [3.9] Download1417.2451.69AISCGQVQSSLVACIPYLRSGGSPTQACCNGVKSLNNAAKTTADRQAACECLKTAAGSISGLSPANAASLPGKCGVNVPYKISTSTNCKNVK
Complex: OLA_A_2(1FK5) / Model_29(1FK5/A) = [5.2] Download1292.2345.57AISCGQVQSSLVACIPYLRSGGSPTQACCNGVKSLNNAAKTTADRQAACECLKTAAGSISGLSPANAASLPGKCGVNVPYKISTSTNCKNVK
Complex: LPC_A_3(1BWO) / Model_16(1BWO/A) = [6.5] Download1465.0244.62AISCGQVQSSLVACIPYLRSGGSPTQACCNGVKSLNNAAKTTADRQAACECLKTAAGSISGLSPANAASLPGKCGVNVPYKISTSTNCKNVK
Consensus
[pKd Mean = 4.85]
-1227
(s=290)
45
(s=4)
AISCGQVQSSLVACIPYLRSGGSPTQACCNGVKSLNNAAKTTADRQAACECLKTAAGSISGLSPANAASLPGKCGVNVPYKISTSTNCKNVK