Study : PA3507 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: NAP_C_9(3LF2) / Model_22(3LF2/C) = [7.1] Download1056.4113.83MKPYDLSEAVAVVTGGSSGIGLATVELLLEAGAAVAFCARDGERLRAAESALRQRFPGARLFASVCDVLDALQVRAFAEACERTLGCASILVNNAGQGRVSTFAETTDEAWSEELQLKFFSVIHPVRAFLPQLESRADAAIVCVNSLLASQPEPHMVATSAARAGVKNLVRSMAFEFAPKGVRVNGILIGLVESGQWRRRFEAREERELDWAQWTAQLARNKQIPLGRLGKPIEAARAILFLASPLSAYTTGSHIDVSGGLSRHA
Complex: NAP_A_5(3LF2) / Model_105(3LF2/A) = [7.4] Download1217.689.69MKPYDLSEAVAVVTGGSSGIGLATVELLLEAGAAVAFCARDGERLRAAESALRQRFPGARLFASVCDVLDALQVRAFAEACERTLGCASILVNNAGQGRVSTFAETTDEAWSEELQLKFFSVIHPVRAFLPQLESRADAAIVCVNSLLASQPEPHMVATSAARAGVKNLVRSMAFEFAPKGVRVNGILIGLVESGQWRRRFEAREERELDWAQWTAQLARNKQIPLGRLGKPIEAARAILFLASPLSAYTTGSHIDVSGGLSRHA
Complex: NAP_A_5(3LF2) / Model_2(3LF2/A) = [7.4] Download1211.199.69MKPYDLSEAVAVVTGGSSGIGLATVELLLEAGAAVAFCARDGERLRAAESALRQRFPGARLFASVCDVLDALQVRAFAEACERTLGCASILVNNAGQGRVSTFAETTDEAWSEELQLKFFSVIHPVRAFLPQLESRADAAIVCVNSLLASQPEPHMVATSAARAGVKNLVRSMAFEFAPKGVRVNGILIGLVESGQWRRRFEAREERELDWAQWTAQLARNKQIPLGRLGKPIEAARAILFLASPLSAYTTGSHIDVSGGLSRHA
Consensus
[pKd Mean = 7.30]		-1161
(s=74)		11
(s=1)		MKPYDLSEAVAVVTGGSSGIGLATVELLLEAGAAVAFCARDGERLRAAESALRQRFPGARLFASVCDVLDALQVRAFAEACERTLGCASILVNNAGQGRVSTFAETTDEAWSEELQLKFFSVIHPVRAFLPQLESRADAAIVCVNSLLASQPEPHMVATSAARAGVKNLVRSMAFEFAPKGVRVNGILIGLVESGQWRRRFEAREERELDWAQWTAQLARNKQIPLGRLGKPIEAARAILFLASPLSAYTTGSHIDVSGGLSRHA