Study : jhp_1367 (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: TYD_A_4(3HJN) / Model_89(3HJN/A) = [5.9] Download864.935.88MYVVLEGVDGAGKSTQVGLLKDRFKNALFTKEPGGTRMGESLRRIALNENISELARAFLFLSDRAEHIESVIKPALKEKKLIISDRSLISGMAYSQFSSLELNLLATQSVLPEKIILLLINKENLKQRLSLKSLDKIENQGIEKLLTIQQKLKTHAYALQEKFGCEVLELDAQKSAKNLHEKIATFIECVV
Complex: ADP_A_2(3LV8) / Model_95(3LV8/A) = [6.2] Download1235.01-0.76MYVVLEGVDGAGKSTQVGLLKDRFKNALFTKEPGGTRMGESLRRIALNENISELARAFLFLSDRAEHIESVIKPALKEKKLIISDRSLISGMAYSQFSSLELNLLATQSVLPEKIILLLINKENLKQRLSLKSLDKIENQGIEKLLTIQQKLKTHAYALQEKFGCEVLELDAQKSAKNLHEKIATFIECVV
Complex: ANP_A_5(1NN5) / Model_90(1NN5/A) = [7.5] Download1361.0414.45MYVVLEGVDGAGKSTQVGLLKDRFKNALFTKEPGGTRMGESLRRIALNENISELARAFLFLSDRAEHIESVIKPALKEKKLIISDRSLISGMAYSQFSSLELNLLATQSVLPEKIILLLINKENLKQRLSLKSLDKIENQGIEKLLTIQQKLKTHAYALQEKFGCEVLELDAQKSAKNLHEKIATFIECVV
Consensus
[pKd Mean = 6.53]
-1153
(s=210)
6
(s=6)
MYVVLEGVDGAGKSTQVGLLKDRFKNALFTKEPGGTRMGESLRRIALNENISELARAFLFLSDRAEHIESVIKPALKEKKLIISDRSLISGMAYSQFSSLELNLLATQSVLPEKIILLLINKENLKQRLSLKSLDKIENQGIEKLLTIQQKLKTHAYALQEKFGCEVLELDAQKSAKNLHEKIATFIECVV