Study : 618_tI_THECC (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: LPC_A_4(1BWO) / Model_15(1BWO/A) = [3.7] Download1342.1030.35AITCSQVSSYLAPCIPYLRGSGGAVPSNCCSGIKNLNGAAQTSQDRKAACGCIKNAAGSISGINYALASQMPSKCGVSIPYQISPNIDCNSVN
Complex: DAO_E_5(2ALG) / Model_13(2ALG/A) = [4.1] Download707.3433.87AITCSQVSSYLAPCIPYLRGSGGAVPSNCCSGIKNLNGAAQTSQDRKAACGCIKNAAGSISGINYALASQMPSKCGVSIPYQISPNIDCNSVN
Complex: OLA_A_2(1FK5) / Model_32(1FK5/A) = [5.6] Download1208.0939.19AITCSQVSSYLAPCIPYLRGSGGAVPSNCCSGIKNLNGAAQTSQDRKAACGCIKNAAGSISGINYALASQMPSKCGVSIPYQISPNIDCNSVN
Consensus
[pKd Mean = 4.47]
-1085
(s=273)
34
(s=3)
AITCSQVSSYLAPCIPYLRGSGGAVPSNCCSGIKNLNGAAQTSQDRKAACGCIKNAAGSISGINYALASQMPSKCGVSIPYQISPNIDCNSVN