Study : Rv2564 (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: ADP_A_3(4P32) / Model_69(4P32/A) = [4.4] Download748.9111.85MGGLTISDLVVEYSSGGYAVRPIDGLSLDVAPGSLVILLGPSGCGKTTLLSCLGGILRPKSGSIKFDDVDITTLEGAALAKYRRDKVGIVFQAFNLVSSLTALENVMVPLRAAGVSRAAARKRAEDLLIRVNLGERMKHRPGDMSGGQQQRVAVARAIALDPQLILADEPTAHLDFIQVEEVLRLIRSLAQGDRVVVVATHDSRMLPLADRVLELMPAQVSPNQPPETVHVKAGEVLFEQSTMGDLIYVVSEGEFEIVRELADGGEELVKTAAPGDYFGEIGVLFHLPRSATVRARSDATAVGYTAQAFRERLGVTRVADLIEHRELASE
Complex: ATP_A_3(3FVQ) / Model_64(3FVQ/A) = [4.5] Download788.9214.07MGGLTISDLVVEYSSGGYAVRPIDGLSLDVAPGSLVILLGPSGCGKTTLLSCLGGILRPKSGSIKFDDVDITTLEGAALAKYRRDKVGIVFQAFNLVSSLTALENVMVPLRAAGVSRAAARKRAEDLLIRVNLGERMKHRPGDMSGGQQQRVAVARAIALDPQLILADEPTAHLDFIQVEEVLRLIRSLAQGDRVVVVATHDSRMLPLADRVLELMPAQVSPNQPPETVHVKAGEVLFEQSTMGDLIYVVSEGEFEIVRELADGGEELVKTAAPGDYFGEIGVLFHLPRSATVRARSDATAVGYTAQAFRERLGVTRVADLIEHRELASE
Complex: ADP_B_5(4P32) / Model_68(4P32/B) = [4.9] Download469.7911.85MGGLTISDLVVEYSSGGYAVRPIDGLSLDVAPGSLVILLGPSGCGKTTLLSCLGGILRPKSGSIKFDDVDITTLEGAALAKYRRDKVGIVFQAFNLVSSLTALENVMVPLRAAGVSRAAARKRAEDLLIRVNLGERMKHRPGDMSGGQQQRVAVARAIALDPQLILADEPTAHLDFIQVEEVLRLIRSLAQGDRVVVVATHDSRMLPLADRVLELMPAQVSPNQPPETVHVKAGEVLFEQSTMGDLIYVVSEGEFEIVRELADGGEELVKTAAPGDYFGEIGVLFHLPRSATVRARSDATAVGYTAQAFRERLGVTRVADLIEHRELASE
Complex: ATP_B_6(3FVQ) / Model_63(3FVQ/B) = [5.3] Download769.7314.07MGGLTISDLVVEYSSGGYAVRPIDGLSLDVAPGSLVILLGPSGCGKTTLLSCLGGILRPKSGSIKFDDVDITTLEGAALAKYRRDKVGIVFQAFNLVSSLTALENVMVPLRAAGVSRAAARKRAEDLLIRVNLGERMKHRPGDMSGGQQQRVAVARAIALDPQLILADEPTAHLDFIQVEEVLRLIRSLAQGDRVVVVATHDSRMLPLADRVLELMPAQVSPNQPPETVHVKAGEVLFEQSTMGDLIYVVSEGEFEIVRELADGGEELVKTAAPGDYFGEIGVLFHLPRSATVRARSDATAVGYTAQAFRERLGVTRVADLIEHRELASE
Complex: ANP_A_2(4AYW) / Model_67(4AYW/A) = [5.5] Download1382.3616.50MGGLTISDLVVEYSSGGYAVRPIDGLSLDVAPGSLVILLGPSGCGKTTLLSCLGGILRPKSGSIKFDDVDITTLEGAALAKYRRDKVGIVFQAFNLVSSLTALENVMVPLRAAGVSRAAARKRAEDLLIRVNLGERMKHRPGDMSGGQQQRVAVARAIALDPQLILADEPTAHLDFIQVEEVLRLIRSLAQGDRVVVVATHDSRMLPLADRVLELMPAQVSPNQPPETVHVKAGEVLFEQSTMGDLIYVVSEGEFEIVRELADGGEELVKTAAPGDYFGEIGVLFHLPRSATVRARSDATAVGYTAQAFRERLGVTRVADLIEHRELASE
Consensus
[pKd Mean = 4.92]		-831
(s=298)		13
(s=1)		MGGLTISDLVVEYSSGGYAVRPIDGLSLDVAPGSLVILLGPSGCGKTTLLSCLGGILRPKSGSIKFDDVDITTLEGAALAKYRRDKVGIVFQAFNLVSSLTALENVMVPLRAAGVSRAAARKRAEDLLIRVNLGERMKHRPGDMSGGQQQRVAVARAIALDPQLILADEPTAHLDFIQVEEVLRLIRSLAQGDRVVVVATHDSRMLPLADRVLELMPAQVSPNQPPETVHVKAGEVLFEQSTMGDLIYVVSEGEFEIVRELADGGEELVKTAAPGDYFGEIGVLFHLPRSATVRARSDATAVGYTAQAFRERLGVTRVADLIEHRELASE