Study : 259_tI_HELAN (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: DAO_E_5(2ALG) / Model_21(2ALG/A) = [3.8] Download776.4640.42APYTEALSCGQVSSSLAPCISYLTKGGAVPPACCSGVKSLNSAAKTTPDRQAACGCLKSAYNSISGVNAGNAASFPGKCGVSIPYKISPSTDCSKVQ
Complex: LPC_A_4(1BWO) / Model_26(1BWO/A) = [3.9] Download1228.4041.24APYTEALSCGQVSSSLAPCISYLTKGGAVPPACCSGVKSLNSAAKTTPDRQAACGCLKSAYNSISGVNAGNAASFPGKCGVSIPYKISPSTDCSKVQ
Complex: OLA_A_2(1FK5) / Model_11(1FK5/A) = [5.7] Download1113.9242.54APYTEALSCGQVSSSLAPCISYLTKGGAVPPACCSGVKSLNSAAKTTPDRQAACGCLKSAYNSISGVNAGNAASFPGKCGVSIPYKISPSTDCSKVQ
Complex: LPC_A_3(1BWO) / Model_26(1BWO/A) = [7.0] Download1660.3738.86APYTEALSCGQVSSSLAPCISYLTKGGAVPPACCSGVKSLNSAAKTTPDRQAACGCLKSAYNSISGVNAGNAASFPGKCGVSIPYKISPSTDCSKVQ
Consensus
[pKd Mean = 5.10]
-1194
(s=316)
40
(s=1)
APYTEALSCGQVSSSLAPCISYLTKGGAVPPACCSGVKSLNSAAKTTPDRQAACGCLKSAYNSISGVNAGNAASFPGKCGVSIPYKISPSTDCSKVQ