Study : 344_tI_RETRA (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: LPC_A_4(1BWO) / Model_16(1BWO/A) = [4.0] Download1432.6555.37ITCGQVVSNLTPCITYLQRGGAVPGQCCNGVKTLVSSAQTTADKQTACNCLKSTAATIPNINFGNAGSLPGKCGVNLPYKISPSTNCASIKF
Complex: DAO_E_5(2ALG) / Model_12(2ALG/A) = [4.1] Download778.9640.09ITCGQVVSNLTPCITYLQRGGAVPGQCCNGVKTLVSSAQTTADKQTACNCLKSTAATIPNINFGNAGSLPGKCGVNLPYKISPSTNCASIKF
Complex: OLA_A_2(1FK5) / Model_32(1FK5/A) = [4.8] Download903.4151.46ITCGQVVSNLTPCITYLQRGGAVPGQCCNGVKTLVSSAQTTADKQTACNCLKSTAATIPNINFGNAGSLPGKCGVNLPYKISPSTNCASIKF
Complex: LPC_A_3(1BWO) / Model_16(1BWO/A) = [6.5] Download1694.7342.43ITCGQVVSNLTPCITYLQRGGAVPGQCCNGVKTLVSSAQTTADKQTACNCLKSTAATIPNINFGNAGSLPGKCGVNLPYKISPSTNCASIKF
Consensus
[pKd Mean = 4.85]
-1202
(s=375)
47
(s=6)
ITCGQVVSNLTPCITYLQRGGAVPGQCCNGVKTLVSSAQTTADKQTACNCLKSTAATIPNINFGNAGSLPGKCGVNLPYKISPSTNCASIKF