Study : jhp_0863 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C13_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 C13_S1
Complex: GTP_B_11(4DU6) / Model_66(4DU6/C) = [3.2] Download1056.0518.88MEKFFNQFFENIGEDKNREGLKETPKRVQELWKFLYKGYKEDPRVALKSAYFQGVCDEMIVAQNIEFYSTCEHHLLPFFGNISVGYIPKEKIVGISAIAKLIEIYSKRLQIQERLTTQIAETFDEIIEPRGVIVVCEAKHLCMSMQGVQKQNAIIKTSVLRGLFKKDPKTRAEFMQLLKS
Complex: IPA_D_14(1FB1) / Model_49(1FB1/D) = [3.4] Download603.342.10MEKFFNQFFENIGEDKNREGLKETPKRVQELWKFLYKGYKEDPRVALKSAYFQGVCDEMIVAQNIEFYSTCEHHLLPFFGNISVGYIPKEKIVGISAIAKLIEIYSKRLQIQERLTTQIAETFDEIIEPRGVIVVCEAKHLCMSMQGVQKQNAIIKTSVLRGLFKKDPKTRAEFMQLLKS
Complex: IPA_B_12(1FB1) / Model_51(1FB1/B) = [3.4] Download546.982.10MEKFFNQFFENIGEDKNREGLKETPKRVQELWKFLYKGYKEDPRVALKSAYFQGVCDEMIVAQNIEFYSTCEHHLLPFFGNISVGYIPKEKIVGISAIAKLIEIYSKRLQIQERLTTQIAETFDEIIEPRGVIVVCEAKHLCMSMQGVQKQNAIIKTSVLRGLFKKDPKTRAEFMQLLKS
Complex: IPA_A_15(1FB1) / Model_48(1FB1/E) = [3.5] Download629.298.85MEKFFNQFFENIGEDKNREGLKETPKRVQELWKFLYKGYKEDPRVALKSAYFQGVCDEMIVAQNIEFYSTCEHHLLPFFGNISVGYIPKEKIVGISAIAKLIEIYSKRLQIQERLTTQIAETFDEIIEPRGVIVVCEAKHLCMSMQGVQKQNAIIKTSVLRGLFKKDPKTRAEFMQLLKS
Complex: 8GT_D_14(1WUQ) / Model_57(1WUQ/D) = [3.6] Download1297.3823.12MEKFFNQFFENIGEDKNREGLKETPKRVQELWKFLYKGYKEDPRVALKSAYFQGVCDEMIVAQNIEFYSTCEHHLLPFFGNISVGYIPKEKIVGISAIAKLIEIYSKRLQIQERLTTQIAETFDEIIEPRGVIVVCEAKHLCMSMQGVQKQNAIIKTSVLRGLFKKDPKTRAEFMQLLKS
Consensus
[pKd Mean = 3.42]
-826
(s=297)
11
(s=8)
MEKFFNQFFENIGEDKNREGLKETPKRVQELWKFLYKGYKEDPRVALKSAYFQGVCDEMIVAQNIEFYSTCEHHLLPFFGNISVGYIPKEKIVGISAIAKLIEIYSKRLQIQERLTTQIAETFDEIIEPRGVIVVCEAKHLCMSMQGVQKQNAIIKTSVLRGLFKKDPKTRAEFMQLLKS