Study : jhp_1415 (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: FMT_A_11(3W2Y) / Model_47(3W2Y/A) = [3.3] Download353.1620.33MKLISWNVNGLRACMTKGFMDFFNSVDADVFCIQESKMQQEQNTFEFKGYFDFWNCAIKKGYSGVVTFTKKEPLSVSYGIDIKEHDKEGRVVTCEFESFYLVNVYTPNSQQALSRLSYRMSWEVEFKKFLKALELKKPVIVCGDLNVAHNEIDLENPKTNRKNAGFSDEEREKFSELLNAGFIDTFRYFYPNKEKAYTWWSYMQQARDKDIGWRIDYFLCSNPLKTRLKDALIYKDILGSDHCPVGLELV
Complex: NACID_N_6(4B5M) / Model_59(4B5M/C) = [3.3] Download--MKLISWNVNGLRACMTKGFMDFFNSVDADVFCIQESKMQQEQNTFEFKGYFDFWNCAIKKGYSGVVTFTKKEPLSVSYGIDIKEHDKEGRVVTCEFESFYLVNVYTPNSQQALSRLSYRMSWEVEFKKFLKALELKKPVIVCGDLNVAHNEIDLENPKTNRKNAGFSDEEREKFSELLNAGFIDTFRYFYPNKEKAYTWWSYMQQARDKDIGWRIDYFLCSNPLKTRLKDALIYKDILGSDHCPVGLELV
Complex: GOL_A_15(3G2D) / Model_54(3G2D/A) = [3.3] Download453.4620.33MKLISWNVNGLRACMTKGFMDFFNSVDADVFCIQESKMQQEQNTFEFKGYFDFWNCAIKKGYSGVVTFTKKEPLSVSYGIDIKEHDKEGRVVTCEFESFYLVNVYTPNSQQALSRLSYRMSWEVEFKKFLKALELKKPVIVCGDLNVAHNEIDLENPKTNRKNAGFSDEEREKFSELLNAGFIDTFRYFYPNKEKAYTWWSYMQQARDKDIGWRIDYFLCSNPLKTRLKDALIYKDILGSDHCPVGLELV
Complex: NACID_G_2(3G38) / Model_52(3G38/A) = [3.4] Download--MKLISWNVNGLRACMTKGFMDFFNSVDADVFCIQESKMQQEQNTFEFKGYFDFWNCAIKKGYSGVVTFTKKEPLSVSYGIDIKEHDKEGRVVTCEFESFYLVNVYTPNSQQALSRLSYRMSWEVEFKKFLKALELKKPVIVCGDLNVAHNEIDLENPKTNRKNAGFSDEEREKFSELLNAGFIDTFRYFYPNKEKAYTWWSYMQQARDKDIGWRIDYFLCSNPLKTRLKDALIYKDILGSDHCPVGLELV
Complex: NACID_U_4(4B5G) / Model_66(4B5G/A) = [3.5] Download--MKLISWNVNGLRACMTKGFMDFFNSVDADVFCIQESKMQQEQNTFEFKGYFDFWNCAIKKGYSGVVTFTKKEPLSVSYGIDIKEHDKEGRVVTCEFESFYLVNVYTPNSQQALSRLSYRMSWEVEFKKFLKALELKKPVIVCGDLNVAHNEIDLENPKTNRKNAGFSDEEREKFSELLNAGFIDTFRYFYPNKEKAYTWWSYMQQARDKDIGWRIDYFLCSNPLKTRLKDALIYKDILGSDHCPVGLELV
Consensus
[pKd Mean = 3.36]
-403
(s=50)
20
(s=0)
MKLISWNVNGLRACMTKGFMDFFNSVDADVFCIQESKMQQEQNTFEFKGYFDFWNCAIKKGYSGVVTFTKKEPLSVSYGIDIKEHDKEGRVVTCEFESFYLVNVYTPNSQQALSRLSYRMSWEVEFKKFLKALELKKPVIVCGDLNVAHNEIDLENPKTNRKNAGFSDEEREKFSELLNAGFIDTFRYFYPNKEKAYTWWSYMQQARDKDIGWRIDYFLCSNPLKTRLKDALIYKDILGSDHCPVGLELV