Study : jhp_0573 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: FAD_D_4(2B3D) / Model_21(2B3D/B) = [11.5] Download656.1533.76MKKVLIINGAKAFGHSGGKLNETLTHHAKKILESLGLEVDTTIVDKGYEKSQEVEKFFSADATIWQMPGWWMGEPWIVKKYIDEVFTSGHGKLYASDGRSSQNPTKNYGKGGLMQGKKYMLSLTWNAPIEAFNDPSEFFEGVGVDVVYLHLHKAFQFLGLSALPTFICNDVMKNPQVEQYLNSLTVHLRQAFGK
Complex: FAD_B_5(3RPE) / Model_22(3RPE/B) = [13.3] Download789.0337.31MKKVLIINGAKAFGHSGGKLNETLTHHAKKILESLGLEVDTTIVDKGYEKSQEVEKFFSADATIWQMPGWWMGEPWIVKKYIDEVFTSGHGKLYASDGRSSQNPTKNYGKGGLMQGKKYMLSLTWNAPIEAFNDPSEFFEGVGVDVVYLHLHKAFQFLGLSALPTFICNDVMKNPQVEQYLNSLTVHLRQAFGK
Consensus
[pKd Mean = 12.40]
-722
(s=66)
35
(s=1)
MKKVLIINGAKAFGHSGGKLNETLTHHAKKILESLGLEVDTTIVDKGYEKSQEVEKFFSADATIWQMPGWWMGEPWIVKKYIDEVFTSGHGKLYASDGRSSQNPTKNYGKGGLMQGKKYMLSLTWNAPIEAFNDPSEFFEGVGVDVVYLHLHKAFQFLGLSALPTFICNDVMKNPQVEQYLNSLTVHLRQAFGK