Study : SA2278 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: ADP_A_3(3R03) / Model_8(3R03/A) = [3.7] Download1098.7528.96MKKVINVVGAIIFSDNKILCAQRSEEMSLPLMWEFPGGKIEKNETEKEALIREIREEMKCDLIVGDKVITTEHEYDFGIVKLTTYKCTLNKELPTLTEHKSIEWLSINELDKLNWAPADIPAVNKIMTEG
Complex: ADP_A_3(3R03) / Model_107(3R03/A) = [3.9] Download1317.0823.86MKKVINVVGAIIFSDNKILCAQRSEEMSLPLMWEFPGGKIEKNETEKEALIREIREEMKCDLIVGDKVITTEHEYDFGIVKLTTYKCTLNKELPTLTEHKSIEWLSINELDKLNWAPADIPAVNKIMTEG
Complex: DGT_B_4(3EF5) / Model_23(3EF5/B) = [4.3] Download1394.2112.34MKKVINVVGAIIFSDNKILCAQRSEEMSLPLMWEFPGGKIEKNETEKEALIREIREEMKCDLIVGDKVITTEHEYDFGIVKLTTYKCTLNKELPTLTEHKSIEWLSINELDKLNWAPADIPAVNKIMTEG
Complex: DGT_A_3(3EF5) / Model_6(3EF5/A) = [4.6] Download1388.4413.38MKKVINVVGAIIFSDNKILCAQRSEEMSLPLMWEFPGGKIEKNETEKEALIREIREEMKCDLIVGDKVITTEHEYDFGIVKLTTYKCTLNKELPTLTEHKSIEWLSINELDKLNWAPADIPAVNKIMTEG
Complex: GTP_B_7(3FFU) / Model_22(3FFU/B) = [5.1] Download1406.5015.21MKKVINVVGAIIFSDNKILCAQRSEEMSLPLMWEFPGGKIEKNETEKEALIREIREEMKCDLIVGDKVITTEHEYDFGIVKLTTYKCTLNKELPTLTEHKSIEWLSINELDKLNWAPADIPAVNKIMTEG
Consensus
[pKd Mean = 4.32]
-1320
(s=115)
18
(s=6)
MKKVINVVGAIIFSDNKILCAQRSEEMSLPLMWEFPGGKIEKNETEKEALIREIREEMKCDLIVGDKVITTEHEYDFGIVKLTTYKCTLNKELPTLTEHKSIEWLSINELDKLNWAPADIPAVNKIMTEG