Study : PA3838 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: ATP_A_2(1JI0) / Model_14(1JI0/A) = [4.1] Download722.374.47MLSAKNLKITFNPGTPIETRALRGLSLDIPAGQFVTVIGSNGAGKSTFLNAVSGDLPIDSGQILIDDEDVTRKPVWARANRVARVFQDPMAGTCEDLTIEENMALAQRRGAGRGLGRAVQASMRDGFRESLATLGLGLENRLGDRIGLLSGGQRQAVSLLMAALQPSRILLLDEHTAALDPRTADFVLHLTARIVAEKKLTTMMVTHSMRQALDVGERTVMLHQGQVVLDVSGEQRKGLDVPDLLAMFEKVRGEKLADDALLLG
Complex: ADP_A_3(3TIF) / Model_8(3TIF/A) = [6.1] Download978.559.58MLSAKNLKITFNPGTPIETRALRGLSLDIPAGQFVTVIGSNGAGKSTFLNAVSGDLPIDSGQILIDDEDVTRKPVWARANRVARVFQDPMAGTCEDLTIEENMALAQRRGAGRGLGRAVQASMRDGFRESLATLGLGLENRLGDRIGLLSGGQRQAVSLLMAALQPSRILLLDEHTAALDPRTADFVLHLTARIVAEKKLTTMMVTHSMRQALDVGERTVMLHQGQVVLDVSGEQRKGLDVPDLLAMFEKVRGEKLADDALLLG
Complex: ADP_B_8(3TIF) / Model_22(3TIF/B) = [6.5] Download1121.799.58MLSAKNLKITFNPGTPIETRALRGLSLDIPAGQFVTVIGSNGAGKSTFLNAVSGDLPIDSGQILIDDEDVTRKPVWARANRVARVFQDPMAGTCEDLTIEENMALAQRRGAGRGLGRAVQASMRDGFRESLATLGLGLENRLGDRIGLLSGGQRQAVSLLMAALQPSRILLLDEHTAALDPRTADFVLHLTARIVAEKKLTTMMVTHSMRQALDVGERTVMLHQGQVVLDVSGEQRKGLDVPDLLAMFEKVRGEKLADDALLLG
Complex: ATP_A_5(1L2T) / Model_5(1L2T/A) = [6.6] Download1183.8914.10MLSAKNLKITFNPGTPIETRALRGLSLDIPAGQFVTVIGSNGAGKSTFLNAVSGDLPIDSGQILIDDEDVTRKPVWARANRVARVFQDPMAGTCEDLTIEENMALAQRRGAGRGLGRAVQASMRDGFRESLATLGLGLENRLGDRIGLLSGGQRQAVSLLMAALQPSRILLLDEHTAALDPRTADFVLHLTARIVAEKKLTTMMVTHSMRQALDVGERTVMLHQGQVVLDVSGEQRKGLDVPDLLAMFEKVRGEKLADDALLLG
Complex: ATP_B_6(1L2T) / Model_21(1L2T/B) = [6.7] Download1079.6314.10MLSAKNLKITFNPGTPIETRALRGLSLDIPAGQFVTVIGSNGAGKSTFLNAVSGDLPIDSGQILIDDEDVTRKPVWARANRVARVFQDPMAGTCEDLTIEENMALAQRRGAGRGLGRAVQASMRDGFRESLATLGLGLENRLGDRIGLLSGGQRQAVSLLMAALQPSRILLLDEHTAALDPRTADFVLHLTARIVAEKKLTTMMVTHSMRQALDVGERTVMLHQGQVVLDVSGEQRKGLDVPDLLAMFEKVRGEKLADDALLLG
Consensus
[pKd Mean = 6.00]
-1017
(s=161)
10
(s=3)
MLSAKNLKITFNPGTPIETRALRGLSLDIPAGQFVTVIGSNGAGKSTFLNAVSGDLPIDSGQILIDDEDVTRKPVWARANRVARVFQDPMAGTCEDLTIEENMALAQRRGAGRGLGRAVQASMRDGFRESLATLGLGLENRLGDRIGLLSGGQRQAVSLLMAALQPSRILLLDEHTAALDPRTADFVLHLTARIVAEKKLTTMMVTHSMRQALDVGERTVMLHQGQVVLDVSGEQRKGLDVPDLLAMFEKVRGEKLADDALLLG