Study : bsu15920 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C7_S1
Complex: 1R3_B_6(4KEH) / Model_46(4KEH/D) = [3.3] Download274.599.20MADTLERVTKIIVDRLGVDEADVKLEASFKEDLGADSLDVVELVMELEDEFDMEISDEDAEKIATVGDAVNYIQNQQ
Complex: 1R3_A_5(4KEH) / Model_47(4KEH/C) = [3.4] Download66.3018.50MADTLERVTKIIVDRLGVDEADVKLEASFKEDLGADSLDVVELVMELEDEFDMEISDEDAEKIATVGDAVNYIQNQQ
Complex: PSR_A_11(1L0I) / Model_53(1L0I/A) = [3.4] Download1028.0425.81MADTLERVTKIIVDRLGVDEADVKLEASFKEDLGADSLDVVELVMELEDEFDMEISDEDAEKIATVGDAVNYIQNQQ
Complex: PSR_A_11(1L0I) / Model_109(1L0I/A) = [3.4] Download1130.4825.81MADTLERVTKIIVDRLGVDEADVKLEASFKEDLGADSLDVVELVMELEDEFDMEISDEDAEKIATVGDAVNYIQNQQ
Complex: PM5_B_13(2FAD) / Model_51(2FAD/B) = [3.5] Download1526.1430.74MADTLERVTKIIVDRLGVDEADVKLEASFKEDLGADSLDVVELVMELEDEFDMEISDEDAEKIATVGDAVNYIQNQQ
Consensus
[pKd Mean = 3.40]
-805
(s=548)
22
(s=7)
MADTLERVTKIIVDRLGVDEADVKLEASFKEDLGADSLDVVELVMELEDEFDMEISDEDAEKIATVGDAVNYIQNQQ