Study : bsu14150 (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: FMN_B_6(3F6R) / Model_47(3F6R/B) = [3.9] Download951.3417.12MAKALITYASMSGNTEDIAFIIKDTLQEYELDIDCVEINDMDASCLTSYDYVLIGTYTWGDGDLPYEAEDFFEEVKQIQLNGLKTACFGSGDYSYPKFCEAVNLFNVMLQEAGAAVYQETLKIELAPETDEDVESCRAFARGFLAWADYMNKEKIHVS
Complex: RBF_E_5(1BU5) / Model_16(1BU5/A) = [7.8] Download1026.8820.84MAKALITYASMSGNTEDIAFIIKDTLQEYELDIDCVEINDMDASCLTSYDYVLIGTYTWGDGDLPYEAEDFFEEVKQIQLNGLKTACFGSGDYSYPKFCEAVNLFNVMLQEAGAAVYQETLKIELAPETDEDVESCRAFARGFLAWADYMNKEKIHVS
Complex: FMN_A_5(3F6R) / Model_48(3F6R/A) = [8.3] Download762.4014.65MAKALITYASMSGNTEDIAFIIKDTLQEYELDIDCVEINDMDASCLTSYDYVLIGTYTWGDGDLPYEAEDFFEEVKQIQLNGLKTACFGSGDYSYPKFCEAVNLFNVMLQEAGAAVYQETLKIELAPETDEDVESCRAFARGFLAWADYMNKEKIHVS
Complex: FMN_B_2(1FX1) / Model_8(1FX1/A) = [8.4] Download1180.5422.77MAKALITYASMSGNTEDIAFIIKDTLQEYELDIDCVEINDMDASCLTSYDYVLIGTYTWGDGDLPYEAEDFFEEVKQIQLNGLKTACFGSGDYSYPKFCEAVNLFNVMLQEAGAAVYQETLKIELAPETDEDVESCRAFARGFLAWADYMNKEKIHVS
Complex: FMN_B_2(1XYV) / Model_6(1XYV/A) = [8.5] Download710.7425.36MAKALITYASMSGNTEDIAFIIKDTLQEYELDIDCVEINDMDASCLTSYDYVLIGTYTWGDGDLPYEAEDFFEEVKQIQLNGLKTACFGSGDYSYPKFCEAVNLFNVMLQEAGAAVYQETLKIELAPETDEDVESCRAFARGFLAWADYMNKEKIHVS
Consensus
[pKd Mean = 7.38]
-926
(s=172)
20
(s=3)
MAKALITYASMSGNTEDIAFIIKDTLQEYELDIDCVEINDMDASCLTSYDYVLIGTYTWGDGDLPYEAEDFFEEVKQIQLNGLKTACFGSGDYSYPKFCEAVNLFNVMLQEAGAAVYQETLKIELAPETDEDVESCRAFARGFLAWADYMNKEKIHVS