Study : Rv1314c (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C10_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 C10_S1
Complex: 3PO_A_4(3CI3) / Model_9(3CI3/A) = [3.5] Download858.5213.50MAVHLTRIYTRTGDDGTTGLSDMSRVAKTDARLVAYADCDEANAAIGAALALGHPDTQITDVLRQIQNDLFDAGADLSTPIVENPKHPPLRIAQSYIDRLEGWCDAYNAGLPALKSFVLPGGSPLSALLHVARTVVRRAERSAWAAVDAHPEGVSVLPAKYLNRLSDLLFILSRVANPDGDVLWRPGGDRTAS
Complex: 3PO_A_4(3CI3) / Model_40(3CI3/A) = [3.5] Download815.4713.50MAVHLTRIYTRTGDDGTTGLSDMSRVAKTDARLVAYADCDEANAAIGAALALGHPDTQITDVLRQIQNDLFDAGADLSTPIVENPKHPPLRIAQSYIDRLEGWCDAYNAGLPALKSFVLPGGSPLSALLHVARTVVRRAERSAWAAVDAHPEGVSVLPAKYLNRLSDLLFILSRVANPDGDVLWRPGGDRTAS
Complex: B12_A_3(3GAJ) / Model_14(3GAJ/A) = [3.7] Download2179.8218.78MAVHLTRIYTRTGDDGTTGLSDMSRVAKTDARLVAYADCDEANAAIGAALALGHPDTQITDVLRQIQNDLFDAGADLSTPIVENPKHPPLRIAQSYIDRLEGWCDAYNAGLPALKSFVLPGGSPLSALLHVARTVVRRAERSAWAAVDAHPEGVSVLPAKYLNRLSDLLFILSRVANPDGDVLWRPGGDRTAS
Complex: ATP_A_4(3KE5) / Model_6(3KE5/A) = [4.0] Download1481.2218.50MAVHLTRIYTRTGDDGTTGLSDMSRVAKTDARLVAYADCDEANAAIGAALALGHPDTQITDVLRQIQNDLFDAGADLSTPIVENPKHPPLRIAQSYIDRLEGWCDAYNAGLPALKSFVLPGGSPLSALLHVARTVVRRAERSAWAAVDAHPEGVSVLPAKYLNRLSDLLFILSRVANPDGDVLWRPGGDRTAS
Complex: ATP_B_6(2ZHZ) / Model_22(2ZHZ/B) = [4.1] Download1266.7813.06MAVHLTRIYTRTGDDGTTGLSDMSRVAKTDARLVAYADCDEANAAIGAALALGHPDTQITDVLRQIQNDLFDAGADLSTPIVENPKHPPLRIAQSYIDRLEGWCDAYNAGLPALKSFVLPGGSPLSALLHVARTVVRRAERSAWAAVDAHPEGVSVLPAKYLNRLSDLLFILSRVANPDGDVLWRPGGDRTAS
Consensus
[pKd Mean = 3.76]
-1320
(s=497)
15
(s=2)
MAVHLTRIYTRTGDDGTTGLSDMSRVAKTDARLVAYADCDEANAAIGAALALGHPDTQITDVLRQIQNDLFDAGADLSTPIVENPKHPPLRIAQSYIDRLEGWCDAYNAGLPALKSFVLPGGSPLSALLHVARTVVRRAERSAWAAVDAHPEGVSVLPAKYLNRLSDLLFILSRVANPDGDVLWRPGGDRTAS